United States
Environmental Protection
Agency
Office of
Toxic Substances
Washington, DC 20460
January 1980
Toxic Substances
oEPA
Fourth Report of the
Interagency Toxic
Substances Data
Committee
January 1980
-------
STATUS REPORT #4 ON THE
CHEMICAL SUBSTANCES INFORMATION NETWORK
PREPARED BY THE
PUBLIC LIAISON SUBCOMMITTEE OF THE
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
U.S. ENVIRONMENTAL PROTECTION AGENCY
WASHINGTON, D. C.
OCTOBER 1979
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
722 Jackson Place, N.W.
Wuhlngton, D.C. 20006
U.S. Environmental Protection Agency
Office of Toxic Substances
Washington, D.C. 20460
JAN 28
Dear Colleague:
This is our fourth report on the Interagency Toxic
Substances Data Committee (ITSDC), and its efforts to create a
Chemical Substances Information Network (CSIN).
The following steps have been taken to ensure that all those
concerned with the administration of CSIN development have an
understanding of related federal and private sector information
system activities:
The Toxicology Information Subcommittee (TIS) of the
Committee to Coordinate Environmental and Related
Programs of the Department of Health, Education and
Welfare and the Chemical Substances Information
Network Subcommittee of the ITSDC are holding their
meetings back to back at the same site on the same
day.
Maintaining a standing invitation for subcommittee
members to attend each others meetings.
Routinely exchanging meeting agenda and minutes, and,
when appropriate, technical presentations.
When feasible, we hope to coordinate project development
across subcommittee lines so as to avoid duplicative efforts.
-------
We hope you will find this information useful in keeping up
with our progress and plans. If you have any comments please
address them to :
Cathleen Brooks
EPA PM-218
401 M Street, S.W.
Washington, B.C. 20460
Thank You,
Morris Yaguda
Chairman of the Public
Liaison Subcommittee
of the ITSDC
-------
Table of Contents
Agenda and Minutes of July 10, 1979 Meeting
Agenda and Minutes of August 7, 1979 Meeting
Agenda and Minutes of September 11, 1979 Meeting
The Information Response to Chemical Crises Project
Agenda and Minutes of October 2, 1979 Meeting
Agenda and Minutes of November 13, 1979 Meeting
Minutes of December 4, 1979 Meeting
Agenda of January 8, 1980 Meeting
CSIN Subcommittee Minutes of June 28, 1979 Meeting
CSIN Subcommittee Agenda and Minutes of August 23, 1979 Meeting
CSIN Subcommittee Agenda and Minutes of October 11, 1979 Meeting
CSIN Subcommittee Minutes of November 28, 1979 Meeting
CSIN Subcommittee Agenda of January 17, 1980 Meeting
Toxicology Information Subcommittee Minutes of June 28,
1979 Meeting
Toxicology Information Subcommittee Agenda of August 23,
1979 Meeting
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
722 Jackson Plac*. N.W.
Washington, D.C. 20006
U.S. Environmental Protection Agency
Office ol Toxic Substances
Washington. O.C. 20460
AGENDA - July 10, 1979
1. Review""of Minutes of June 5, 1979.
2. CSIN Subcommittee Report - Dr. Henry Kissman, NLM.
3. Toxicology Information Subcommittee (TIS) Report - Dr. Henry
Kissman, NLM.
4. Report from the CSIN Network Administrator - Dr. Sidney
Siegel, EPA.
5. Overview of United States Efforts on Compilation and
Evaluation of Physical Science Data - Dr. David R. Lide,
Chief/ Office of Standard Reference Data, National Bureau of
Standards (NBS).
6. Physical and Chemical Properties Data Pertinent to Transport
and Persistence of Toxic Substances - Dr. David B. Garvin,
Chief, Chemical Thermodynamics Division, NBS.
7. Spectroscopic and Other Data Relevant to the Detection and
Monitoring of Specific Compounds - Dr. Stephen A.
Rossmassler, Program Manager, Materials Utilization Data,
Office of Standard Reference Data, NBS.
o Next meeting on August 7, 1979.
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
722 Jacteon Plan, N.W.
WMNngtan, D.C. 20006
U.S. Environmental Protection Agency
Offlc* ol Toxic Substances
Washington, O.C. 20460
MEMORANDUM
SUBJECT:
FROM:
TO:
Minutes of July 10, 1979 Meeting
Nan Fremont, Executive Secretary
Members, Interagency Toxic Substances
Data Committee
Enclosed are the Minutes of the July 10, 1979 Meeting of the
Interagency Toxic Substances Data Committee.
If you have any corrections, additions or business items
which should be considered at our next meeting on August 7, 1979,
please call me at 202-755-9336.
-------
1. The meeting co-chaired by Ms. Carrol Bastlan and
Dr. Marilyn Bracken, convened in the CEQ Library,
722 Jackson Place, N.W., Washington* D.C.
I. Review of Minutes of June 5, 1979 Meeting.
The minutes stood approved as read.
II. Chemical Substances Information Network (CSIN)
Subcommittee Report.
Dr. Henry Kissman, NLM, delivered the report. The
Subcommittee met on June 28. Various components of the
CSIN Chemical Structure Nomenclature System were discussed.
Dr. Siege! reported that arrangements for a chaperoned test
of the NCI system are being made.
The NLM staff gave a presentation and demonstration of
the experimental on-line cersion of the Chemical Information
Resources Director (CIRD) which contains information about
some fifteen data bases.
Rita Bergman gave the status of the MITRE contract.
Fifty two files have been analyzed and will be compiled
into a printed directory of data bases as well as organi-
zations which can disseminate data. This set to become
part of the NLM experimental CIRD.
-------
Mr. Charles M. Goldstein NLM, presented a method of
linking similar systems, specifically in the area of library
catalogues. Using various communicative programming methods,
NLM has been experimenting with a user cordial system capable
of interfacing the library's catalogue file, Cat-line.
The Computer Corporation of America (CCA) presented a
film showing the functioning of a distributed data base
management system. It demonstrated all approach to link
disparite content systems located across the country to
efficiently and effectively coordinate a response to an
i nqui ry.
A discussion followed concerning several ongoing CCA
activities: 1) study of system architecture of the CSIN
Project. 2) use of intelligent terminals to access a
CSIN prototype and 3) and an early version of the prototype.
III. Report from CSIN Network Administrator
Dr. Sidney Siegel, EPA, delivered the report.
1. Dr. Siegel presented a Federal Register Notice from
the Materials Transportation Bureau called "Display of
Hazardous Materials Identification Numbers-Improved
Emergency Response Capability Proposed Rules." Author
George Cushmac, DOT, explained that in the Hazardous
Materials Table, the UN number, and not the C.A.S. number,
was being used for the transport of dangerous goods. It
was apparently felt by the Office of Hazardous Materials
-------
Regulations that the four digit UN Number was more easily
recognizable than the C.A.S. number, which may have up
to nine digits. Mr. Cushmac invited written comment on the
subject to the Office of Hazardous Materials Regulation.
2. Dr. Siegel distributed a report from the CSIN contractor,
Computer Corporation of America titled, "Immediate Requirements
for Chemical Substance Information Network, Analysis and
Recommendation."
3. The CSIN subcommittee chair and the network administrator
are currently drafting a letter to agency heads, requesting
name commitments to the Interagency Toxic Substances Data
Committee.
4. A CSIN presentation was made to the senior Environmental
Issues group of DOE during which Dr. Siegel emphasized the
importance of CSIN as a tool capable of being used by many
agencies and the need for interagency dialogue to better
define its functionalities and the importance of interagency
support to the project. It was noted that DOE will be
making a presentation to the committee, probably in September.
5. Drs. Bracken and Siegel also plan a presentation to
CPSC.
6. The issue of information as a national resource will be
considered at the upcoming October meeting of the American
Society for Information Science (ASIS). Government, industry
and academia are expected to be present.
-------
7. The University of Pennsylvania is preparing a matrix of
functions of the Chemical Structure Nomenclature Search System
(CSNS). A chaperoned test for the National Cancer Institute
Chemical Information System is scheduled for July 12. The
CSIN subcommittee will formulate a series of recommendations
for the development of the CSNS which will be based in part
on the University of Pennsylvania's final report on this
component of CSIN.
8. The step by step implementation on CSIN was emphasized
as a means of insuring the most appropriate expenditure of
available funds and thus optimize the use of a much needed
system by the user cojnmunity.
9. The committee discussed user requirements, intelligent
terminals and a prototype CSIN. CCA will incorporate these
technical comments into a proposal which will be available
in the near future. After subcommittee review of the report,
recommendations will be forwarded to the parent committee.
The importance of written comments was emphasized.
10. A draft of the CSIN five year implemenation plan has
been distributed to subcommittee members. The final document
will outline the inter-relationships of administrative issues
during the development of CSIN. It will also demonstrate the
difficulties of planning an interagency supported project.
IV. Toxicology Information Subcommittee Report.
Dr. Henry Kissman, NLM delivered the report
-------
1). Report from National Clearing House for Poison
Control Centers by Dr. Mark Fow, FDA.
Dr. Fow explained how information about product
composition was gathered through direct interaction with
manufacturers. He described the newsletter, a directory of
poison control centers and also described a case reporting
system.
2). A symposium on toxicol ogical information profjected
for October 1980. The symposium would be co-sponsored by
TIS and CSIN, thus involving both biomedical and regulatory
segments of the Federal community. Dr. Kissman proposed
structuring the symposium along the lines of the steps
associated with information transfer from laboratory data
to manuscripts to their publication in primary and literature
sources.
A task force will be created to begin planning for the
symposium.
3). Reports were given concerning progress on the
Laboratory Animal Data Bank and two subcommittee publications,
Toxicology Research Directory and Tox-Tips.
4). Information Reponse to a Chemical Crisis would be
useful t many agencies. The lead groups has two objectives
(1) this capability be available in the event that an~agency
faces a crisis situation on a chemical (2) to have this project
-------
function as a quickly available coordination point for data
and information gathering once an "event" identifying a chemical
crisis is established as being in the domain of an agency(ies).
Current member agencies of the project are the Environmental
Protection Agency, Department of Agriculture, NOAA, NIEHS,
and the parent committee, of the DHEW Committee to Coordinate
Environmental and Related Programs.
5). TIS and CSIN subcommittees will meet again on
August 23, 1979.
V. Overview of United States Efforts on Compilation and
Evaluation of Physical Science Data
by Dr. David Lide, NBS.
The main source of numerical data is the scientific
literature. To handle the critical evaluation of physical
property data, the National Standard Reference Data System
was created. It is coordinated by the Office of Standards
Reference Data within (OSRD), NBS. Most work for this
office is done by experts in Data Centers and in related
projects across the country. The Office of Standards
Reference Data is thus the centr for dissemination of
information gathered from the data centers.
-------
Output of the office is still mostly in hard copy form, but
several data bases are computer readable files in the EPA/
NIH supported Chemical Information System (CIS).
The OSRD interacts with government, professional societies
and private sector groups to support the data centers, sponsor
projects, and handle inquiries. A strong relationship already
exists between ITSDC and NBS through common interests in
specific identification of chemicals via the assignment of
C.A.S. numbers. And the dissemination of quality physical
chemical information.
VI. Physcial and Chemical Properties Data Pertinent to
the Transport and Persistence of Toxic Substances
by Dr. David B. Garvin, NBS.
Dr. Garvin outlined ways data centers presently are
meeting needs for information on chemicals in the environ-
ment in two areas, of concern 1) chemical transport, through
compartments of the environment and 2) the persistence and/or
reactivity of a chemical substance and how these parameters
would impact on evaluating the materials toxicologic potential.
Dr. Garvin reported on the type of information available
from data centers. In the area of transport, there a projects
developing physical and chemical property data such as solu-
bility and vapor pressure of organic compounds and their
relationships of these measurements to levels in air, including
efforts to standardize information on stratospheric chemistry.
-------
Dr. Garvin emphasized the importance of keeping OSRD abreast
of how data will be used so that the data centers and NBS can
continue to provide meaningful data to the toxic substances
information community.
VII. Spectroscopic and Other Data Relevant to the
Detection and Monitoring of Specific Compounds
by Dr. Stephen A. Rossmassler, NBS.
In the ongoing efforts to evaluate reported data, a
vocabularly of classes of data has been generated. They
are: CTass 1 - True and constant facts on nature; Class 2
Data bases generated by spectroscopic instruments rigorously
calibrated according to a defined set of procedures with
samples of proven purity; Class 3 - Data from evaluations
where instrumentation and calibration methods are reported;
Class 4 - undefined data. The OSRD also provides recommendations
to scientists concerning ways of collecting and presenting data,
in an effort to improve and standardize chemical numerical data
reporting.
VIII. Miscellaneous
C.E.Q. Memorandum of Understanding/C.A.S. registry numbers.
Last year in the CEQ report to Congress, ITSDC recommended
the universal use of C.A.S. numbers by all Federal agencies,
not necessarily as an exclusive identifier, but to establish
means of referencing across various data bases with a common
code. This will likewise be a recommendation in the upcoming
Toxic Substances Strategy Committee Report to the President.
-------
To expedite implementation of this policy, a draft of a
memorandum of understanding has been prepared for consideration
by Federal Agencies. At the next ITSDC meeting comments to the
first draft will be considered.
IX. Thanking the guest speakers from NBS, Dr. Bracken
announced that the next Data Committee meeting will
be on August 7. The Meeting was adjourned at 11:50 a.m.
-------
ATTENDEES-July 10, 1979
FEDERAL
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
NAME
Lottie McClendon
John B. Cox
Bernard Greifer
Winston, R. deMonsabert
Carroll Leslie Bastian
Terri Damstra
Sidney Siegel
Dorothy Drago
Patricia Breslin
Bernard Scharf
Cdr. W. M. Parsons
Cathy Brooks
George T. Armstrong
Rita F. Bergman
Jerry Coffey
Jerry Calderone
Roger Connor
Richard J. Lewis, Sr.
Loren Hall
Marilyn Bracken
Henry Kissman
Calvin Menzie
ORGANIZATION
PHONE
NBS/OEM
U.S. Dept. of Commerce
Commerce/OEA
FDA/OC
CEQ
NIH/NIEHS
EPA/OTS/OPII
CPSC
OSHA
CPSC
MSC USN, Naval Medical Research
and Development Command, Bethesda
EPA/MIDSD
EPA/OTS/ERD
Sigma Data Computing Corp.
OFSPS
HEW/OASH/PHS
EPA
NIOSH/HEW
EPA/OTS/OTE
OPII/OTS/EPA
NLM
-------
ATTENDEES-July 10, 1979
NON-FEDERAL
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Name ORGANIZATION PHONE
George R. Hoffmann NAS
Ron Grandon Pesticide & Toxic Chemical New
Girard Ordway BNA, Inc.
Fred A. Tate CAS
Ron G. Dunn CAS
Twyla Bishop Mitre Corp.
Bruce Grogan, Weyerhauser Co.
Carie Heller Sigma Data - Upgrade
Deborah Mullon Society of the Plastics
William H. Krebs General Motors Corp.
Adrienne A. Whyte Biotechnology, Inc.
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
722 JKtaon Plae*. N.W.
Washington, D.C. 20006
U.S. Environmental Protection Agency
Offlc* of Toxic SubMincw
Washington, D.C. 20460
AGENDA - AUGUST 7, 1979
1. Review of minutes of July 10, 1979
2. Subcommittee Reports
Chemical Substances Information Network (CSIN)
Toxicology Information Subcommittee (TIS)
- Dr. Sid Siegel, EPA
3. C.E.Q. Memorandum of Understanding/C.A.S. registry number
4. Presentations
a). UPGRADE - User Prompted Graphic Analysis and Display
System
- Mr. Larry Milask
- Dr. Carol Graves
Sigma Data Computing Corporation
b). HEEDA - Health Efforts and Environmental Data Analysis
Systems
- Dr. Amy Rispin, Office of Toxic Substances/Testing
and Evalatuion Program, EPA
c). PROPHET
- Dr. Howard Bilofsky
Bolt, Beranek and Newman
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
722 Jackson Plan. N.W.
Washington. O.C. 20009
U.S. Environmental Protection Agency
Otfic* of Toxic Substances
Washington, D.C. 20460
MEMORANDUM
SUBJECT:
PROM:
TO:
Minutes of August 7, 1979 Meeting
Nan Fremont, Executive Secretary
Members, Interagency Toxic Substances
Data Committee
Enclosed are the Minutes of the August 7, 1979 Meeting of the
Interagency Toxic Substances Data Committee.
If you have any corrections, additions or business items which
should be considered at our next meeting on September 11, 1979,
please call me at 202-755-8050.
-------
1. The meeting, co-chaired by Ms. Carroll Bastian and
Dr. Marilyn Bracken, convened at 9:30 a.m. in Room
2010 of the New Executive Office Building 17th and
Pennsylvania Avenue, Washington, D. C.
I. Review of Minutes of the July 10, 1979 meeting.
The minutes stood approved as read.
II. Subcommittee Reports
A. Toxicology Information Subcommittee Dr. Sid Siegel
reporting in Dr. Henry Kissman's absence.
At the June 28th Meeting Dr. Mark Fow, EPA,
described the technical and administrative infor-
mation activities of the Poison Control Clearing-
house and its network of poison control centers
around the country.
Dr. Kissman proposed that a second symposium on
handling of toxicology information be held and gave a
possible date of early June, 1980. Dr. Siegel suggested
co-sponsorship of the symposium by CSIN and TIS.
Mark Southerland, CPSC, spoke about the Chemical
Monograph Referral Center and ways of identifying and
accessing documents relevant to chemical substances.
Florence Bayard, NLM, spoke about the status of
the TD-3 project (Toxicology Document and Data Depository)
-------
Carol Haberman, NLM, discussed the Toxicology Research
Projects Directory and TOXTIPS, which blends information on
current toxicology testing in industry, government and academia.
Dr. Terry Damstra, NIH/NIEHS, presented the status of
the chemical Crisis Information Reponse Project.
Dr. Gary Kielson, NAS, spoke about activities at the
National Academy of Sciences as a toxicology advisory and
rapid response center.
B. Chemcial Substances Information Network (CSIN) Subcommittee.
Dr. Sid Siegel, CSIN Administrator EPA, gave the
following report. A letter is being prepared for distri-
bution to agency heads to make "name commitments" to the
CSIN and TIS subcommittees.
Dr. Siegel described activities that continue to be
ongoing under the contract to develop the Chemical Structure
Nomenclature Search System (CSNS) that will be part of
the front end of CSIN. A performance test of one chemical
structure, substructure search system was carried out at
the NCI's Division of Cancer Treatment. The results of
that test and of other activities involved in defining
the functional requirements and search capabilities of
the CSNS were examined and are being integrated into a
report through a contract with the University of Pennsylvania.
The report will allow the CSIN subcommittee to assess
user requirement and functional capabilities presently
existing so as to make judgement concerning the structure
and functions of phase one of a CSNS.
-------
Bill Caldwell, NLM, demonstrated a computer file which
is capable of making use of records generated by the MITRE
corporation for the initial phases of establishing the
Chemical Data Base Directory. Dr. Siegel suggested renaming
the system the Chemical Information Resources Directory,
so that the name would more accurately describe the broad
spectrum of data and information sets the directory is to
be able to identify.
The Computer Corporation of America presented a
film which described a distributed data base management
system developed by the organization.
Dr. Charles Goldstein, NLM, spoke about a user
cordial terminal acting as an interface to on-line
card catalogue systems.
Comments were again requested on the five-year
development plan. Erika Graf-Webster, author of the
plan, is preparing some introductory material for that
document.
Dr. Siegel reported on status of development of an
intelligent terminal for interfacing the CSIN prototype.
A proposal for such capability was submitted for review
to the contractor. Subsequently, the contractor prepared
a second proposal which detailed four options for intelli-
gent terminal construction. The proposal was distributed
to twenty members of the subcommittee and comments were
-------
requested. The choice of option two was based on securing
an intelligent terminal that would balance capability
with mechanical and software stability for field use. The
following are details for the hardwae and software specifi-
cations for option two:
The hardware configuration for this option consists
of an intelligent terminal with two floppy disc
drives, auto-dialer and printer.
The floppy disc drives have a combined storage
capacity of one million characters. The discs are
removable providing additional off-line storage
capacity. The storage available in option two
supports expansion of function far beyond the
capabilities and mode of usage previously envisioned.
A1J programs except a programmable, readable only
memory, resident low level loader for terminal
start-up will be stored on floppy discs.
Key word lists and captured data may be stored
on and retrieved from discs. When data is captured
or edited, the user is offered the option of saving
it permanently.
Dr. Bracken accepted the general endorsement of the
members of the ITSDC to proceed with final negotiations
with CCA for the recommended option.
-------
III. CEQ Memorandum of Understanding on the Use of C.A.S.
Numbers.
Ms. Bastian explained that the document is intended to
be a brief statement of policy to insure that all the
agencies understand and join in the suggested use of CAS
numbers in their chemical information systems.
In discussion, it was felt that there was some ambiguity
regarding the range of systems affected, as well as
implementation guidelines. To address these issues, an
ad hoc task force was formed.
IV. Presentation of the User Prompted Graphic Analysis and
Display System (UPGRADE).
This analytic software package was presented by Dr.
Carol Graves of Sigma Data Computing Corporation.
UPGRADE is being developed under contract with CEQ
through interagency agreements with EPA, NCI, DOE and
others.
UPGRADE is an English language system designed for
use by the analyst or researcher and currently resides
in the computer systems of NIH. There are a number of
interfaces available through UPGRADE. The general
purpose interface allows the user to put in his or her
own data. GLIDE, (Country Level Integrated Data base
-------
for Epidemiology) contains data from several agencies
among.,them NIHs, EPA and the census Bureau. It is
matched with FIPS to allow the data to be correlated
with environmental or demographic data.
Three of UPGRADE'S interfaces connect with specific
data bases, STORET, a water quality data base, NASQAN,
the USGS water quality data base, and SAROAO, the EPA
air quality data base. The system has as well various
data base managemant capabilities.
V. Presentation of the Health and Environmental Effects
Data Analysis System (HEEDA).
Dr. Amy Rispin, EPA, spoke about HEEDA which is
being developed in the Office of Toxic Substances and
will be available through CSIN. The system, is in part
to respond to the need to increase the ability to
predict the carcinogenicity, mutagenicity and
tetragenicity of chemical substances. At the core of
this effort is the development of a base made up of
evaluated data and information. The system includes a
variety of ecological as well as chemical and biological
data bases. A current major effort in the area of data
reduction is the gene-tox mutagenicity literature, using
this system as the capture mechanism. 3,000 to 5,000
chemicals will eventually be reviewed. With this
-------
development of training sets of toxicological
information and having statistical correlation
techniques in place, HEEDA will increase the ability
of scientists to predict the toxicologic potential
of chemicals to biological systems.
VI. Presentation of PROPHET
Dr. Howard Bilofsky described the system as an
inter-active graphically oriented information handling
system. It is funded by the Division of Research
Resources of NIH and designed for use by scientists who
are not necessarily familiar with computers. PROPHET
permits easy access to a wide range of scientific data
in the form of tables, graphs and three dimensional
schematic illustrations. The system allows an exploration
of different data combinations, data extrapolation and
manipulation of the graphics by the user. It has specific
capabilities for pharmokinetics, cell kinetics, linear,
and regression analysis. It also can manage molecular
structures to illustrate molecular binding and building.
PROPHET is currently being used in about 20 sites around
the country.
Thanking tfie presenting guests, Dr. Bracken adjourned
the meeting at 12:25 p.m.
-------
ATTENDEES - August 7, 1979 - I.T.S.D.C,
NAME
Ron Grandon
William H. Krebs
Adrienne Whyte
Howard Bilofsky
Judith M. Nushon
John M. Capriccioso
Christine Shine
Martin Aronoff
Doug Sellers
Carol Graves
Lewis Gevantan
Marion Suter
Ron Dunn
Fred Tate
Patricia Breslin
Jerry Calderone
Don Hummel
Sidney Siege!
Winston R. DeMonsabert
Vera Hudson
ORGANIZATION
Pesticide & Toxic
Chemical News
General Motors Corp.
Biotechnology, Inc.
BBN
MITRE
Dow Chemical
Mansanta Co.
Nat Bur Stds.
EPA/OTS
Sigma Data Computing
NBS
EPA/OTS
CAS
CAS
OSHA/IRLG
DHEW/OASH/OPHS
NLM
EPA/OTS/OPII
FDA/OC
NIOSH
PHONE
783-7472
313-556-1597
573-3700
617-491-1850
703-827-6930
517-636-1705
452-8880
921-3491
755-9336
Corp. 223-8860
395-5763
426-9408
614-421-6940
614-421-6940
523-7177
472-5194
496-1131
755-8040
443-4505
443-2100
-------
NAME ORGANIZATION PHONE
Bernard Greifer DOC 377-3078
Kenneth Chu NCI 496-1152
George E. Cushmac DOT/MTB 426-2311
Marilyn Bracken OTS 755-8040
Carroll Leslie Bastian CEQ 395-4980
Dorothy Drago CPSC 492-6470
Amy Rispin EPA/OTS 755-1500
Fred W. Clayton OSHA/DOL 523-8020
Jerry Coffey OFSPS 673-7974
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
722 Jickion PliM, N.W.
WMNngton. D.C. 20008
U.S. Environmental Protection Agency
Offlc* of Toxic Substances
Wuhlngton. O.C. 20460
AGENDA
September 11, 1979
Room 2010
New Executive Office Building
17th Street and Pennsylvania Avenue, NW
Washington, DC
1. Review of minutes of August 7, 1979
2. Subcommitte-e Reports
Toxicology Information Subcommittee (TIS)
Chemical Substances Information Network Subcommittee (CSIN)
- Dr. Henry Kissman, NLM.
3. Highlights of the CCA report, "A Prototype Chemical
Substances Information Network"
- Rita Bergman, Sigma Data Computing Corporation.
4. General Discussion on the Interagency Memorandum of
Understanding on the use of C.A.S. numbers.
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
722 jMtoon Plan, N.W.
Washington. O.C. 20006
U.S. Environmental Protection Agency
Offlc* of Toxic SubstincM
Washington, O.C. 20460
MEMORANDUM
SUBJECT
FROM:
Minutes of September 11 1979, Meeting
Nan Fremont, Executive Secretary
Member, Interagency Toxic Substances
Data Committee
Enclosed are the minutes of the September 11 1979 meeting
of the Interagency Toxic Substances Data Committee.
If you have any corrections, additions or business items
which should be considered at our next meeting on October 2. 1979,
please call me at 202/755-8050.
Enclosures
-------
The meeting chaired by Dr. Marilyn Bracken convened
at 9:40 a.m. Room 2010 of the New Executive Office Building
17th and Pennsylvania Avenue, Washington, D.C.
I. Review of minutes of August 7, 1979, meeting the minutes
stood approved as read.
II. Subcommittee Reports.
A. Toxicology Information Subcommittee
Report by Dr. Henry Kissman, NLM.
The subcommittee met on August 23.
Activities of the National Referral Center were
reviewed by Mr. John Feulner, Library of Congress.
One service offered is a compilation of organizations
potential as information resources. This data base
lists some 12,000 to 13,000 such groups or organizations
(50% of the users of this service are equally divided
between government and industry, 25 percent colleges
and universities and 25 percent others. They are able
to refer 93 percent of their users and of those 85
percent are he!ped.
NCR published in early 1970 a directory oriented
towards toxicology information. The director listed
some 1200 organizations with this capability. The
book is not currently up to date, but might be made
so in the next fiscal year. NCR gets about 125 queries
week which are handled by a staff of 16 to 20 people
and a budget of about half a million dollars. Information
on organizations is updated about once a year.
-------
Mr. Feulner noted that presently the data base was
available only to Congress. LC is open to becoming a
member of the ITSDC.
Dr. Terry Damstra, of the NIEHS, gave a report on the
Interagency Response to Chemical Crisis Project (IRCC)
Work has been completed on the mock crises dealing with
"Asbestos in Air". The "Effect of Acid Rain" mock crisis
project is still in progress. A mock search on the Health
Effects of Formaldehyde-Urea Resins demonstrated that two
people can do a quick but useful search in an emergency.
The next step will be to examine ways of electronically
communicating this information. Collaboration will be
explored between this project and the Emergency Response
Group of the National Academy of Sciences. Two new non-
crisis search projects have been chosen. "The Composition
of Toxic Agents in Chemical Dumps including the Oceans",
and "Carcinogenicity of Inorganic Compounds in Synthetic
Fuels." Currently the IRCC distributes copies of its
searches free of charge. At the end of these minutes is
a more detailed description of the IRCC project.
A report on the Laboratory Animal Data Bank was presented
by Dr. Warren Hoag. A three year contract has been
awarded to The Battelle Columbus Laboratories, (BCL),
under which the first task is to established online
public access to the file. BCL will provide user support,
training manuals, newsletters, user data, etc. They
will also assemble statistics associated with user
requi rements.
-------
There was a report on CHEMRIC, a CPSC project under
which information on the plans of agencies to prepare
monograms is collected and made accessable in an attempt
to reduce duplication of effort and encourage the sharing
of such efforts. In the light of CPSC's difficulty in
continuing support of the project, it was felt that
TIS or the Data Committee should aid the effort while
leaving it under CPSC Control and direction. It was
recommended also that the file be made available in
some public on-line computer system.
CSIN Subcommittee
There was a report on the pre 1965 C.A.S. registration
of compounds project. Negotiations have been started
with C.A.S. as to the cost of a feasibility study for
this project.
Rita Bergman reported on the status of contracts
supporting CSIN development. An interim report from
MITRE was handed out, and a fnal report on the chemical
information resources directly is expected shortly.
The NLM staff had prepared a draft RFP workscope
incorporating information about organizations that
collect information about organizations. In gathering
information for a Chemical Information Resource Directory,
it was felt that part of the task was to define organi-
zations that already do this work, and to investigate the
possibility of using those collections for this component
of CSIN.
-------
Rita Bergman reported on the computer corporation of
chemicals (CCA) CSIN preprototype. As part of this
activity, it is possible that the agencies could set
up their own simple or intelligent terminal access
stations. Ms. Bergman also outlined CCA's progress
in collecting information on CSIN user requirements.
Dr. Sid Siegel gave the status of the University of
Pennsylvania contract on the requirements for the
development of a CSNS. A final reprot from the
University is due shortly- He said also that the
chaperoned test of the NCI system had been completed
with results fairly close to those projected by the
earlier interim report.
It was noted that the letter to the agencies requesting
to CSIH and TIS committee activities was still in draft
form. The draft letter was approved by Dr. Rail and
presently awaits EPA approval.
In discussing the problem of getting reports to be
commented on quickly, it was mentioned that there should be
a group of three or four stand-by consultants would be
available quickly for ad hoc technical reviews especially
when an indepth technical response is necessary for
further action. Dr. Bracken encouraged those in attendance
to suggest to the CSIN subcommittee names of experts
in the fields of network architecture, communications,
data base design and administration and substructure
search system.
-------
Ill Highlights of CCA report," a Prototype Chemical
Substances Information Network".
Rita Bergman, CEQ.
In passing out copies of the report, Ms. Bergman
exphasized the importance of its careful review as
a major way to facilitate efficient and effective
CSIN development.
When the prototype can be implemented CSIN will achieve
integration of different data bases for the user with a
single interface. Thus, there will be a number of com-
ponents which users will be able to access using one
query language. The objective of the prototype is to
meet near term requirements for multisystem access.
In this stage of development, analysis of early problems
of multisystem interfaces and of data integration
will lead to greater efficiency and level of performance
as the system matures. Development in part will depend
on an evaluation of user experience and feedback.
Four functoins are to be included in the system: (1)
retrieval of all information on a given chemical by
entering its name or its C.A.S. number, (2) defining
or storing queries as firmware called script; (3) a
uniform query language or query facility which allows
access to networked data bases with one language, (4)
when required direct use of a CSIN component through each
agency-housed terminal station.
-------
In addition, of distributed CCA is reviewing the potential
application of data base management systems. None of
the existing DBMS are felt to be fully appropriate for
CSIN's needs although it is likely that pieces of some
of them will at least in part be suitable for application
to CSIN. To develop a common query language, an important
CCA concept, a global data base query system, will take
data from selected CSIN components and try to establish
relationships among them. Initially only selected
data elements will be mapped and used in development
of the query language. Ms. Bergman also noted that a
user need not use the common query language, but may
access data in any given component by use of SCRIPT,
or with assistance from the Chemical Information Resource
Directory. In the area of communications, a packet
switched network has been recommended because of the
flexibility and efficiency it affords. At least two
network components will describe some portion of their
data as confidential. CICIS and TDMS. Confidentiality
will be assured by a separate secure query system and
by a physical facility which admits only authorized
personnel.
-------
In response to a need for more technical expertise to
review some aspects of the prototype design, Dr. Bracken
suggested establishing a technical review board comprised
of experts who could provide technical evaluation on
various aspects of CSIN development.
IV. New Business
Dr. Marilyn Bracken, EPA
The Toxic Substances Stategy Committee report to
the President included the concpet of an early
Hazard Warning System whereby relevant information
and data bases would be used as resources to alert
regulatory agencies and the research community to areas
of potential concern. Dr. Bracken asked members to
consider ways of organizing and implementing this project.
The committee also recommended regarding that a review
of Federal legislation be done and recommendations
developed that would coordinate or address the whole
aspect of exchange of confidential data between the
agencies and the ITSDC be responsible for establishing
this task.
Dr. Bracken noted that the next meeting would be
October 2, 1979 at 9:30
With no further questions or additions to the agenda
the meeting was adjourned at 10:50 a.m.
-------
I.T.S.D.C.
ATTENDEES
September 11, 1979
FEDERAL
NAME
Barbara Mandula
George R. Hoffman
Martin Aronoff
Josephine L. Walkowicz
Cathleen Brooks
Terri Damstra
Henry Kissman
Vera Hudson
George Cushmac
Marilyn Bracken
Glenn Simpson
Bernard Scharf
Jerry Calderone
Kenneth Chu
ORGANIZATION
NAS
NAS
NBS
NBS
EPA/MIDSD
NIH/NIEHS
NIH/NLM
NIOSH
DOT/MTB
EPA/OTS
CPSC
CPSC
DHEW/OASH/PHS
NCI/NTP
TELEPHONE
389-6932
389-6351
921-3491
921-3491
755-0811
8-629-3471
496-3147
443-2100
426-2311
755-8040
492-6962
492-6470
472-5194
496-1152
-------
NAME
Deborah Mullon
John M. Capriccioso
Christine Shine
Linda Goldstein
Elaine Kaisor
James A. Hulme
Jane Rasmus sen
Lillian F- Koehler
Judith E. John
Angela Bannon
Adrienne Whyte
Jennie Hart
Dale Myers
Mary Worobec
Rita Bergman
I.T.S.D.C.
ATTENDEES
September 11, 1979
NON-FEDERAL
ORGANIZATION
The Society of
the Plastics Industry Inc.
Dow
Monsanto
Baker & Hostefler
CSMA
American Cyanamid Co.
Chemical Mfgs. Association
Johnson & Johnson
PM/USA
3M Company
Biotechnology Inc.
General Motors Co.
C.A.S.
BNA
Sigma Data Computer
TELEPHONE
331-0340
517-636-1705
452-8880
857-1500
872-8110
737-4800
328-4229
201-524-9522
804-271-3317
331-5581
573-3700
313-556-1597
614-421-6940
452-4583
223-8860
-------
ITSDC
September 11, 1979
THE INFORMATION RESPONSE TO CHEMICAL CRISIS PROJECT
Several government organizations have joined in the
establishment of an Information Response to Chemical Crises
(IRCC) Project.
This project was established in recognition of the fact
that various government organizations share a common need for
basic information in the event of a "chemical crisis". The
primary objective of the IRCC Project is to provide IRCC member
organizations with a rapid response literature search service
which address the "crisis" chemical(s) or topic(s). A second
objective is to prepare bibliographies on substances or topics,
which, although non-crisis in nature, are of communal interest
to the IRCC project organizations.
IRCC literature searches have been performed on 2,3,7,
8-tetrachlorodibenzodioxin; dichloroethylenes; the effects
of environmental chemicals on the immune system; asbestos
levels in air; and on the toxicity or urea formaldehyde
foams. For further information, contact: Dr. Terri Damstra;
IRCC Project Coordinating Officer; The National Institute
of Environmental Health Sciences; P.O. Box 12233, Research
Triangle Park, N.C. 27709.
-------
UNITED STATES ENVIRONMENTAL PROTECTION AGENCY
WASHINGTON, D.C. 20460
OFFICE OF TOXIC SUBSTANCES
AGENDA
October 2, 1979
Room 2008
New Executive Office Building
17th and Pennsylvania Avenue
Washington, D. C.
1. Subcommittee Reports
Toxicology Information Subcommittee
Dr. Henry M. Kissman, NLM
Chemical Substances Information Network
Dr. Henry M. Kissman, NLM
2. Toxic Substances Strategy Committee
Hazard Warning System
Confidentiality Issues Among Agencies
3. Department of Energy Information Activities
John Wilson
George Kelly
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
7!2J«kMnPlm,N.W.
WMNngton, O.C. 20006
U.S. Environmental Protection Agency
Office of Toxic SutettncM
Washington, O.C. 20480
MEMORANDUM
Subject: Minutes of the October 2, 1979 Meeting
From: Nan Fremont, Executive Secretary
To: Members, Interagency Toxic Substances Data Committee
Enclosed are the minutes of the October 2, 1979 meeting
of the Interagency Toxic Substances Data Committee.
If you have any additions, corrections or items to be
considered at our next meeting on November 13, 1979, please
phone me at 202-755-8040.
-------
I. Introduction
The meeting was held at the New Executive Office Building at
9:30 a.m., and was co-chaired by Dr. Marilyn Bracken, EPA, and Ms.
Carroll Leslie Bastian, CEQ. Dr. Bracken introduced Nan Fremont, EPA,
as the new Executive Secretary of the ITSDC. After notation of
corrections to minutes of the September 11, 1979 meeting, they were
approved as corrected.
II. Old Business
Co-Chair Carroll Bastian reported the signing of two CSIN
related contracts at CEQ.
The first is an amendment to the ongoing CCA contract. The
amendment provides for an expansion of the use-requirements analysis
-which will include a broader representation of the pre-prototype
system as recommended by the CSIN subcommittee and subsequently
accepted by the parent committee, as well as for the development of a
design for Version I of the CSIN prototype.
Under the second recently signed contract, Chemical Abstracts
Service will conduct a feasibility study for the registration of
chemicals from the pre-1965 literature, as recommended in the CEQ 1978
report to Congress.
Dr. Bracken reported on the work done on a suggestion of the
parent committee that specialized technical support be made available
to the CSIN subcommittee and/or to the parent committee. Methods of
identifying and assembling such a group of experts were discussed.
-------
-2-
It was agreed that this was an appropriate function of the CSIN
subcommittee/ and that a suggestion be made to the subcommittee to
identify experts who might assist in reviewing technical documents.
Distribution of the CSIN prototype design document by CCA has
started the flow of comments and has begun the building of a list of
experts to help review the report. A full day open seminar is being
planned for November or December to discuss in an open meeting the
document contents and its administrative ramifications.
III. Report from the CSIN Network Administrator
Dr. Sid Siegel, EPA, gave an update of ongoing Network
activities.
The final MITRE Corporation report on the Chemical Data Base
Directory is due October 5.
The final report from the University of Pennsylvania contract on
the Chemical Substances Nomenclature System (CSNS) module will be
distributed and a summarypresentation of the report is to be made by
Dr. David Lefkovitz of the U. of P. to the CSIN subcommittee on
October 11. The report will also be distributed to the parent
committee for their review. Dr. Lefkovitz will present a summary of
the report to this committee on November 13.
A special meeting of the CSIN subcommittee is being considered to
discuss and respond to the proposed development schema. This is in
-------
-3-
response to concern voiced at the September 2 parent committee meeting
that more information and education is needed on some of the
technical recommendations before further action can be taken.
IV. CEQ Memorandum of Understanding regarding the use of CAS Registry
Numbers in Agency Files
Ms. Carroll Bastian, CEQ, commented that issues relevant to the
wording and implementation of the CEQ document had been raised and
would be turned over to the CSIN subcommittee for further consider-
ation and resolution. The subcommittee is to discuss these issues and
develop a final draft of the memorandum for general agency concur-
rence. Any other comments may be directed, quickly, to Dr. Henry
Kissman, NLM, chairman of the subcommittee.
V. Toxic Substances Strategy Committee Report (TSSC)
The first item discussed was the recommendation by the TSSC that
the Parent Committee look at the feasibility of developing a Chemical
Hazard Warning System. Dr. Henry Kissman, NLM, gave some background
about past efforts in this area.
Early discussion of this concept has pointed to the need for a
chemical intelligence activity, i.e., a review of the literature for
reports of events that might have potential implications in the area
of toxic substances. It was felt that once such events were
-------
-4-
identified they should be further investigated by looking in part at
the extent of an involved chemical's use, its biological, physical and
chemical properties and activities and properties of chemically
related compounds.
Dr. Kissman recommended a feasibility study to examine these and
points such as: 1) current availability of this kind of information,
or existence of organizations doing this type of work, 2) potential
users of such a service, 3) technical guidelines for developing the
service and estimating the operating budget, 4) formation of a
reporting body and a screening group to evaluate hazard information,
5) actions that might be taken beyond agency alert, 6) the possibility
of a retrospective study of hazards to try and ascertain if past
incidents could have been avoided or would have been less serious if
this kind of analysis service had been available.
Dr. Kissman also mentioned the Information Response Chemical
Crisis (IRCC) as a possible monitoring group for this activity, noting
its status as a functioning organization* He also said that he would
bring this matter up before the Toxicology Information Subcommittee
(TIS) and would return to the parent committee with subcommittee
comments from members who have insight into this area.
Dr. Edward Bartkus, Dupont, made the following comments: 1) that
such a hazard warning system should include consideration of lesser
as well as more widely used chemicals, (i.e., and research
-------
-5-
chemicals). Early awareness of some hazard could avoid a more complex
and widespread hazard later, 2) the committee should take advantage of
existing activities like the Environmental Mutagen Information Center,
and the Environmental Teratology Information Center, 3) the committee
should also consider hazards that do not necessarily fall into the
area of toxicology, 4) the effort should be directed toward designing
a hazard alert system that could tie in with other domestic and
international systems presently under development. In referring to
Dupont's own hazard alert efforts, Dr. Bartkus noted that in general,
industry would be inclined to contribute to and participate in a
national hazard warning system.
Dr. Bratiken noted that advantage could be taken of learning more
about the NIOSH prepared Intelligence Bulletins, an activity closely
related to this one. She suggested having a presentation to the
committee on an NSF-supported study done at Clark University on
hazard recognition and hazard reduction methodology.
The committee then discussed the suggestion by the TSSC that
ITS DC draft recommendations for legislation addressing the issue of
confidentiality of trade secrets. Dr. Bracken reported that Mr. Bob
Nicholas of CEQ has offered to chair a subcommittee for this task.
Mr. Nicholas had led that particular project for the Strategy
Committee. Because the exchange of data among the agencies is a
critical issue for CSIN development, it was felt that the committee
-------
-6-
should be very much involved in the review of comments to the Stategy
Committee concerning the trade secrets chapter. It was agreed that a
subcommittee should be formed to generate legislative
recommendations.Members were asked to go back to their agencies to
find appropriate representation to this subcommittee.
VI. Presentation of the Information Activities of the Department of
Energy (DOE).
Mr. John Wilson began his report with a short history of DOE.
This department grew out of the Atomic Energy Commission (AEC). In
1974, the National Regulatory Commission (NRC) component of AEC was
set up as a separate regulatory body. In 1977 the AEC, the Federal
Energy Administration, the Federal Power Commission, and some
departments of the Bureau of Mines were merged to form the Department
of Energy. DOE has approximately 20,000 Federal Employees, 100,000
contractor personnel and a budget of $10 billion. Organizationally,
the Department falls into four categories: Federal Energy Regulatory
Commission (FERC), the technological arm; Management; and the network
of field offices.
Likewise, DOE data can be classified into broad categories.
Management data is contained in about 350 data bases and includes
information concerning people, staff, payrolls, medical and exposure
data systems as well as the whereabouts of some "controlled
-------
-7-
substances" The Uniform Contractor Reporting System has information
on the contractors associated with DOE.
There are three main regulatory data systems within DOE: the
(FERC), formerly the Federal Regulatory Commission, has 40-50 sub-
systems. The information included generally has to do with the
transportation and sales of natural gas and electricity. It contains
statistics of interstatenatural gas and pipeline companies, oh
privately owned US electric utilities, as well as information on power
and fuel supplies, electric rates, hydroelectric projects and power
surveys.
The second regulatory system is the Economic Regulatory
Administration (ERA). It regulates items not under FERC jurisdiction.
These are mostly the more public systems, having to do with the
allocation of fuel oil, how much oil is to be made into gasoline, etc.
Recently, ERA has mapped out a feasibility study for gasoline
rationing at a cost of $1 million per state.
The third regulatory group is the Energy Information Adminis-
tration, EIA, which projects the supply, demand and consumption of
energy. It produces an annual report, drawing information from its 38
data systems.
Other systems are the National Energy Information Center and the
Federal Energy Information Locator System, which is reference direc-
tory for Energy Information Systems.
-------
-8-
DOE also has a number of technical information projects that
deal with energy technologies, including engineering as well as
applied basic sciences. The major areas are: 1) conservation, 2)
solar energy, 3) energy or nuclear Technology, 4) Fossil energy,
including coal, 5) Resource Allocation, which moves proven
technologies into the commercial sector, 6) Environmental.
Bibliographical information is kept at the Technical Information
Center (TIC) at Oak Ridge, which produces Energy Research Abstracts
.Energy literature is surveyed and keyed into RECON, an on-line
bibliographic system to which DOE as well as some other agencies
have access. A contractor appraisal system which monitors a
contractor's ability to produce the reports required under the
contract for submission to the TIC. There are well over 1000 systems
housed there, including management systems and graphic display
systems. The largest concentration of these is at the Oak Ridge
National Laboratory (ORNL). These are supported by DOE and DREW (i.e.,
NLM, NIEHS) as well as other agencies.
In addition, there is considerable interest in analytical and
graphic systems which not only store and retrieve data, but also
perform some manipulation and calculation, and include statistical
packages which can produce tables, bar graphs and charts.
DOE also ovarsees 25 information centers that are multi-agency
supported, including the Berkley Data Center, the Information Center
-------
-9-
for Energy Safety, the National Geothermal Information Center. They
contain bibliographical as well as hard data.
The real concentration of the technical data and data systems is
in the National Laboratories. These energy research centers include
specialized biomedical laboratories. They include a facility at Oak
Ridge, and the Loveless Laboratory in Albuquerque.
There is varied progress in integrating all of these information
resources into the Department of Energy as a whole. Headway is being
made in the management areas, while the proprietary nature of much of
the information in the regulatory arearaises special problems for the
development of such systems. In the technological area things are
progressing well. There has been a push for cooperation among
laboratories to undertake common projects, necessitating the sharing
of information. The Inter-laboratory Working Group on Data Exchange
has developed a computerized data exchange system which is widely used
throughout the labs*
Currently at the Berkley Laboratory, there is a DOE funded pilot
study to develop a distributed computer network. On completion, the
software will then be available to all DOE labs, other federal
agencies and their contractors. Standards for exchange of data have
been set up by the Inter-laboratory Working Group on Data Exchange.
Adoption of the standards are voluntary, because most of the labs are
contractors, but strong DOE guidelines have encouraged wide
-------
-10-
acceptance.
In thanking Mr. Wilson and Dr. George Kelley, also from the
Department of Energy, Dr. Bracken encouraged other agencies to think
about presenting their own information activities to the committee.
Industry is also encouraged to do so.
The next meeting of the ITSDC is scheduled for November 13, 1979
from 9:30 to 12 noon in Room 2010 of the New Executive Office
Building, 17th and Pennsylvania Avenue, NW, Washington, D.C. Since
there was no further business, Dr. Bracken adjourned the meeting at
10:55 a.m.
-------
ATTENDEES
Carroll Leslie Bastian
Rita F. Bergman
Marilyn Bracken
Jerry Calderone
George E. Cushmac
Bernard Greifer
Vera Hudson
George Kelly
Henry Kissman
Winston R. de Monsabert
Suzanne Rudzinski
Bernard Scharf
Sid Siegel
Josephine L. Walkowicz
John Wilson
Bruno M. Vasta
FEDERAL
CEQ
CEQ
EPA
HEW/OASH/PHS
DOT/MTB
DOC
NIOSH
DOE
NLM/NIH
FDA/OC
EPA
CPSC
EPA
NBS
DOE
EPA
395-4980
395-5763
755-8040
472-5194
426-2311
377-3078
443-2100
252-4760
496-3147
443-4505
755-5851
492-6470
755-8040
921-3491
353-4684
755-5687
-------
ATTENDEES
NON-FEDERAL
Angela Bannon
Edward P. Bartkus
Patricia J. Beattie
Sherry Boltz
Sidney Draggan
R. G. Dunn
Linda Goldstein
Bruce Graham
George R. Hoffman
Judith Hushon
Lillian Kochler
Jane Rosmussen
Cheryl Russell
Christine Shine
Jacqueline Weitzel
3M
Dupont
General Motors
NPCA
331-5581
302/655-0062
313/556-1597
462-6272
National Science Foundation 632-7810
C. A. S. 614/421-6970
Baker & Hootetler 857-1500
IIT Research 296-1610
National Academy of Sciences 389-6351
Mitre Corp.
Johnson & Johnson
Chem. Manufactures Assoc.
ChemRegister
Monsanto Company
P. Q. Corp.
827-6930
201/524-9522
229-5439
452-4583
452-8880
215/293-7352
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
782 Jactaon Ptoot, N.W.
WoMngton. D.C. 20006
U.S. Environmental Protection Agency
Office of Toxic Substances
Washington. D.C. 20460
AGENDA
November 13, 1979
9:30 a.m. - 12:00 noon
New Executive Office Building
Room 2010
I. Introduction
II. Subcommittee Reports
-Dr. Henry Kissman, NLM
III. Report of the University of Pennsylvania Study
of System Requirements Analysis for the CSNS
-Dr. David Lefkovitz, University of Pennsylvania
IV. Presentation by the Chemical Abstracts Service
-Mr. Nick Farmer/ C.A.S.
-Mr. Ron Wiggington, C.A.S.
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
722 Jaefcaon Ptac*. N.W.
WuMngtcn, D.C. 20006
U.S. Environmental Protection Agency
Offlc* ol Tone SubMiteu
Wufcftgton, O.C. 20460
MEMORANDUM
SUBJECT: Minutes of the November 13, 1979 Meeting
FROM: Nan Fremont, Executive Secretary
TO: Members of the Interagency Toxic Substances
Data Committee
Enclosed are the minutes of the November 13, 1979 meeting
of the Interagency Toxic Substances Data Committee, If you have
any additions or corrections, please call me at 202/755-8040.
-------
I. Introduction
The meeting was held at the New Executive Office
Building at 9:30 a.m. and was chaired by Ms. Carroll Leslie
Bastian, CEO.
II. Old Business
1. Toxic Substances Strategy Committee (TSSC) Report
Ms- Bastian reported that the chapter of the Toxic
substances Strategy Committee (TSSC) report pertaining
to the data activities of ITSDC has been distributed and
discussed by Data Committee members and has been
commented on by various non-federal groups. Generally
the comments are supportive of the development of the
Chemical Substances Information Network
(CSIN). Other comments include: the need for a
Chemical Regulation and Guidelines System; the need for
EPA to continue an open ended chemical classification
system; a need for coordination among federal groups in
their chemical literature search activities including
more rapid access to the relevant data and information
on chemical substances, especially in emergency
situations. Copies of comments from the National
Resources Defense Council (RDC) and the DuPont
Corporation were distributed. All comments are
available through CEQ, and will be distributed to the
pertinent agency. Participation by non-federal groups
in CSIN development was stressed to insure that the
needs of these communities will be integrated into
system design.
2. Chemical Hazard Alert System (CHA)
In a second item related to the TSSC report to the
President, Ms. Bastian invited comments on the Chemical
Hazard alert System (CHA) described in the report, to
define some points that should be examined in a CHA
feasibility study, as recommended by the Toxicology
Information Subcommittee (TIS). It was noted that the
TSSC report recommendation is intended to "catch the
things that fall through the cracks" i.e., it recommends
a system for Hazard Alert that spans the scope of
literature monitoring being done by all the various
agencies, but one that does not duplicate those
functioning systems. Important also is the development
of a CHA that would bring valid hazards to the attention
of the appropriate Federal agencies, while keeping
insignificant incidents in the proper focus.
-------
-2-
Dr. Bartkus (DuPont Corporation) reiterated
that those hazard situations that do not
necessarily fall into the area of toxicology should also
be included in a CHA. He noted that some incidental
chemical-related incident, could be a precursor of a
more serious environmental one.
Dr. Chu (NCI) suggested the Gene-Tox program at EPA
as a program to examine in creating a model for a CHA.
Dr. Damstra stated that while the IRCC does
literature searching of a different nature than that
described for a CHA, the IRCC will discuss the Hazard
Alert issue at their November 21, 1979 meeting. She
will return to the ITSDC any suggestions from that
group.
3. ITSDC Membership
Concerning ITSDC membership, it was noted that the
letter to agency heads requesting specific nominations
for CSIN membership also requests each agency to confirm
and review its membership to ITSDC. The letter
presently is being redrafted and tailored to reflect the
present relationship of the agency to the ITSDC, CSIN
and TIS subcommittees.
III. Subcommittee Reports
1. Chemical Substances Information Network (CSIN)
Subcommittee
Dr. Henry Kissman (NLM) first reported on recent
activities of the Chemical Substances Information
Network (CSIN) Subcommittee. Dr. Bernard Greifer,
Department of Commerce (DOC) had been asked at the
October 11, 1979 Subcommittee meeting to prepare a
paragraph for insertion into the CEQ Memorandum of
Understanding to describe the de facto use of the CAS
Registry Numbers in many Federal Agencies in their
information files. Dr. Greifer's draft of the
Memorandum also calls on the ITSDC through DOC to
investigate the feasibility of establishing the
Registry Numbers as a Federal Information Processing
Standard (FIPS). This could allow eventually for
reimbursement to agencies for costs of adding the CAS
Registry Number to their chemical information files.
The draft memorandum was distributed for discussion
only, since it had not yet been discussed by the CSIN
Subcommittee. After such discussions, the CSIN
Subcommittee will make formal recommendations to the
ITSDC.
-------
-3-
Next, Dr. Kissnan presented Dr. Sid Siegel (EPA),
CSIN Administrator, who reported on the receipt of the
final draft from the University of Pennsylvania
(U. of P.) contract. The report titled, "Systems
Requirements Analysis for the Chemical Structure and
Nomenclature System (CSNS)" was distributed to the
Subcommittee in conjunction with the October 11, 1979
presentation of highlights of the study by Dr. David
Lefkovitz (U. of P.). Dr. Siegel noted that a subgroup
of the CSIN Subcommittee would be meeting with the
Chemical Abstracts Service (CAS) in an information
gathering follow up. The subgroup of the Subcommittee
will meet again on November 20, 1979 to discuss all the
facets of CSNS and subsequently draft recommendations
to the CSIN Subcommittee as to the developmental
direction to be taken for the CSNS.
Receipt of their final report on the Chemical Data
'Base Directory (CDBD)/Chemical Information Resource
Directory (CIRD) marked the end of the MITRE
contract. Copies are available through Rita Bergman
(CEQ). An RFP is being prepared for continuation of
development of the Directory.
In an area related to the CIRD, Dr. Kissman
, reported as to the possibility of working with the
National Referral Center (NRC) of the Library of
Congress (LC) to issue a Toxicology related subset of
information resources from the NRC data base titled,
"Directory of Information Resources in the United
States; General Toxicology." An Interagency Agreement
is being drafted at NLM and LC, under which the
involvement of LC would be defined.
{
2. Toxicology Information Subcommittee
Dr. Kissman then reported on activities of the
Toxicology Information Subcommittee (TIS). The
Subcommittee discussed the computerization of
government monographs including such information
sources as the Criteria Documents produced by the
National Institute for Occupational Safety and Health
(NIOSH) as well as documents published at other
agencies. Subcommittee members discussed methods of
storing these documents in a system to allow for
efficient search and easier reissue of the documents.
Dr. Frank Mackeson (NIOSH) presented an overview of the
production of the NIOSH Criteria Documents.
Subcommittee members were interested in further
investigating the possibility of computerizing the
Criteria Documents. There was interest also in
establishing the feasibility of such a computerization,
using a machined Criteria Document in an available
system.
-------
-4-
The Chemical Hazard Alert System (CHA), a
recommendation from the Toxic Substances Strategy
Committee report to the President, was also discussed
by TIS members. Dr. Kissman stated that the
Subcommittee suggested a system to include two
groups: one to monitor the literature for potentially
hazardous chemical situations either from uses of a new
chemical, or from new uses of older, frequently used
ones and; a second group that would evaluate reports of
the monitoring group, decide on the validity of the
indicated potential concern and channel selected
information to relevant agencies. The Subcommittee
recommends a feasibility study to determine who, if
anyone, is currently performing this service, and to
try to retrospectively determine if having such an
information intelligence service would have helped to
avoid or lessened the severity of a past chemical
crisis. The scope of resources needed (funds and
staff) should be examined as well. The Subcommittee
also suggests that the Defense Intelligence Community
could constructively advise on the handling of an
information analysis system like the CHA. Learning
more about activities of the Congressional Research
Service might also offer insight into this Hazard Alert
Activity.
Dr. Kissman stated that he had written a letter -to
the ITSDC chairpersons recommending the selection of a
small steering group to evaluate development options
and to begin work on selecting a group to perform the
feasibility study.
Dr. Kissman then reported that the Laboratory
Animal Data Bank, a TIS project, is working toward a
January, 1980 date for a limited public access to the
Data Bank. Administrative plans concerned with user
training and fee collection are now in development.
Dr. Terri Damstra (NIEHS) reported that the TIS
Interagency Response to Chemical Crisis project,
expects to have the bibliography of the non-crisis
search, "Effects of Toxic Agents on the Immune System"
and "Asbestos in Air" bibliographies available in
December. While no distribution mechanism yet exists,
copies of bibliographies can be made available. A
system to allow the Federation of American Scientists
Experimental Biology (FASEB) to publish the IRCC
bibliographies is expected to be ready in early 1980.
Dr. Damstra also reported that two current searches,
"Composition of Toxic Agents in Chemical Dumps," and
"Carcinogens in Inorganic Compounds in Synthetic Fuel
Technology" are to be completed in March, 1980.
This concluded the Toxicology Information
Subcommittee Report.
-------
-5-
IV. Overview of the University of Pennsylvania Report on
Requirements for a Chemical Structure Nomenclature System
(CSNS) . ~"~
Dr. David Lefkovitz (U. of P.) stated that the report
contains both the functional specifications of a CSNS as
well as planning recommendations and additional study
tooics which address increased system flexibility. The
Subcommittee was also reminded that any recommendations
made by an ad hoc subgroup of technical experts will be
reviewed by the Subcommittee to incorporate into their own
recommendations to the parent ITSDC.
The U. of P. study began in 1978 and addressed its
task in two phases. FjLrst, a CSNS users requirements study
was performed and a preliminary report issued. The
selection of functional specifications of an "ideal" CSNS
and a subsequent assessment of some performance
characteristics of a number of existing, computerized
chemical information systems made up phase two. It was
concluded that CSNS development would require the
combination of a number of features available in individual
systems but that no one existing system would fulfill all
of CSNS requirements. The study produced a matrix of about
150 functional requirements for the system of which three
are major requirements.
Continuing, Dr. Lefkovitz explained the approach
taken to the study. A sample of government agencies were
interviewed. Site trips were taken to view actual
systems. A substructure search methodology workshop,
attended by 20 representatives from government, industry
and academia, was held. Some 11 systems were analyzed,
including the proposed CAS System. Next, there was in
depth direct testing of three "finalist" systems, CHEMLINE,
the system which is used by NCI's Division of Cancer
Treatment, and the SANSS component of CIS. Finally, there
was communication with the Computer Corporation of America
(CCA) on interface problems between CSNS and CSIN.
Dr. Lefkowitz first reviewed the conclusions of the
workshop/study group that specified the functional
requirements of CSNS. Recommended search capabilities
included searching by: CAS Registry Number, synonymous
names, name fragments; complete or partial molecular
formula; substructure; spectra and by algorithnically
encoded features (i.e., "screens" or "keys").
The CSNS search must be able to accomodate Undefined,
Variable Composition and Substances of Biological Orqin
(UVCB), i.e., substances that cannot be readily defined by
structural formula.
Dr. Lefkovitz then described some operational system
requirements which were delineated by the workshop
participants. Regarding file size, the group felt that the
system should be able to support a minimum of one million
compounds, and that ultimately, it might need to be able to
search the total CAS Registry File.
-------
-6-
The workshop determined that the community of users
would be almost universal, including government, industry
and research groups. The mode of operation would be
interactive. CSNS should be able to serve 200 full
structure searcher simultaneously or 50 substructure
searchers. Dr. Lefkovitz noted here that the technical
approach taken by CAS in creating an interactive search
system is different from the one suggested in the U. of P.
study.
In the area of more specific system requirements, the
CSNS inquiry language should be capable of both great
precision and flexibility (variability). (See page 1 of
the attachment). Among the most effective such languages
at present are the Merck system with its "X-Z" capability,
and the Upjohn system. Dr» Lefkovitz noted that there
should be informational compatibility with the CAS Registry
III Connection Table. Lastly in this area, there should be
user-created catalogue keys for performing current
awareness searches, or creating profiles of interest.
Dr. Lefkovitz then listed three major development
problems. The first is graphic input and inquiry
variability. This problem is fairly well solved by
approaches developed by Merck and Upjohn, as well as by
some methods being used by SANSS, NCI, and others. The
second problem revolves around operational issues
associated with the interactive search of a multi-million
compound file. The third problem pertains to output; there
should be high quality structural display for both low and
high speed terminals.
Dr» Lefkovitz then spoke about the solutions to these
problems. For the input, and more specifically the graphic
input problem, the solution is partly a system of keyboard
commands, as developed by Dr. Richard Feldman (DCRT, NIH),
which has been incorporated into both the NCI and SANSS
systems. This approach has two advantages: (1) it can be
used on non-graphic, ordinary character terminals; and (2)
it can enter a structure rapidly. However, the system
lacks the ability to craft certain types of
configurations. Three or four bonds from a single origin,
or a bridge across the middle of a ring structure are
examples of chemical graphics not well processed by the
system. In this area, the Rohm and Haas Companv has
developed a cursor graphic system that handles such
structures better.
From an inquiry variability standpoint, the X-Z
substitutions of Merck are recommended. The report also
cites the ring/nucleus keys of the NCI system, and the
atom-centered fragments in both the NCI and SANSS systems,
as being potentially useful here. SANSS has a powerful set
of keys called RPROBE which could possibly be incorporated
into the CSNS. Some upgrading of the RPROBF keys is
currently being considered for SANSS.
-------
-7-
Dr. Lefkovitz then addressed the output/printing
problem. He explained that chemical structures may be
represented in two ways in the computer. One is by a
vector method, and the second by a matrix. The difficulty
is that while the structure legibility is much higher in
the vector representations, the quality of current printer
terminals is substantially better in the matrix mode.
Laser printers with vector capability are starting to be
produced, but are not yet well developed. Transferring of
chemical structure information into computer form, is a
"solved" software problem. The study recommends the use of
a program developed by CAS to assign coordinates to the
Connection Table. Thus, the solution to the output problem
is firstly, the use of the CAS vector display program with
existing devices, like Tektronix or Hewlett-Packard
terminals. Secondly, while waiting for the development of
a quality laser printer in vector mode, the study
recommends the development of a conversion program to print
on a matrix device, or use the existing matrix display
program in SANSS, which would need some upgrading for CSNS
use.
.To resolve the operational problem, Dr. Lefkovitz
described three alternative system configurations (page 2
of the attached graphics). One uses CHEMLINE which is able
to accomodate 750,000 compounds in an interactive search
mode. A second approach is to develop a new file system
based on bit-map technology as in the National Cancer
Institute's system which he feels is upgradable to the
handling of 5 million compounds. These two options are
Inverted List systems.
A third approach is the Chemical Abstracts Search
Machine, which Dr. Lefkovitz describes as a serial/parallel
approach, i.e., while it processes the bit screens in a
serial mode, it simultaneously breaks them up and performs
certain parallel operations.
The differences between the Inverted List systems and
the CA Search Machine are these: (1) Mode of interaction -
the Inverted List screen search is faster, while the Search
Machine achieves interaction by interspersing screen and
iterative search; (2) Inverted Lists can accomodate
arbitrarily large index term (screen) vocabularies without
response time degradation - this allows for open ended
structure screen vocabularies, the type in NCI and SANSS.
This also leads to more effective combining of structural
and non-structural search. Some "secondary" differences
are that the Search Machine file is easier to maintain, but
that multiple file logic is simpler with the Inverted List
Systems.
Dr. Lefkovitz then discussed some CSNS development
plans for a three year period (see page 3 of attached
graphics). The U. of P. study recommends proceeding with
the common development of structure input and output, an
estimated two year effort. Early during this two years, a
decision should be made on whether to upgrade CHEMLINE (a
-------
-8-
1.5 year effort) or to develop a new file system, an
estimated two year effort. The CHEMLINE option offers
lower cost.and quicker implementation of a system, but a
file size limit of 750,000 compounds. A new file system,
while more costly in funds and time, would accomodate a one
to five million compound file.
At the two year mark, then, a functioning CSNS will
exist. Three ultimate CSNS configurations then emerge
(page 4 of graphics). The first addresses the possibility
that the CAS system for whatever reason, would be
unsuitable. Here, the new file system would be extended to
five million compounds. The second proposes a common front
end with the CAS system to allow full Registry Search,
while maintaining one of the Inverted List systems,
CHEMLINE or a new file system, which would accomodate
750,000 to one million compounds. The third possibility is
a total CAS system, with the ability to search a five
million compound file.
V. Technical Development of the Chemical Abstracts Service
System
Ms. Bastian introduced Mr. Nick Farmer, Chemical
Abstracts Service (CAS) who gave this presentation.
Mr. Farmer first explained that CAS is a non-profit division
of the American Chemical Society, and has offices in
Columbus Ohio. Since 1907 they have abstracted and indexed
the chemistry literature and produced various hard copy and
machine readable compilations.
Current services are what Mr. Farmer called standard or
comprehensive services, including printed Chemical Abstracts
(CA) and CA search services as well as more customized
services tailored to a user's needs, represented by CA
selects and corporate profiles. The CA Registry is a key
part of the operation, now containing information on 4.6
million substances, with 7.2 million names (synonyms, common
names, trade names, etc.). Future services, the provision
of on-line use via networks out of a Columbus based
computer, will be based on the Registry.
In designing a system for new services, CAS spoke to
40-50 organizations, their chemists, and information
scientists. The ideal system environment includes an
integrated system architecture, public and private files, a
common user interface, and flexibility for growth.
Mr. Farmer used a "Service Delivery Model" (page 5 of
attached graphics) illustration. Four major components
are: the terminal component, which will exist at the user
site, perhaps as an intelligent microprocessor; a data base
component, which will build and search the data base; an
interactive component, a major part of the program which
will interact with the user to do query framing and results
-------
-9-
display; a computational component which would require a CPU
for functions including iterative search. These components
will be clearly separated and connected by a network.
Mr. Farmer then described the parts of the system
related to substance search (see graphics, page 6). He
pointed out the interactive component which has two sub-
parts: the online structure input system which is an
interactive graphic system to put structure diagrams into
the computer in readable form; and an online name input
system; and the full structure identificatin component which
includes the registry substructure file.
The CAS approach to substructure searching is called
the Substructure Search Machine, a network of interconnected
mini computers. Two major activities are currently
underway: (1) the development of a pilot substructure
search system which will start with 750,000 compounds, and
(2) a private file substructure search system for the
National Cancer Institute. Separate now, the goal is to
bring these two systems together into a target substructure
search system which will have a common interface between the
public (pilot) and private files (graphics page 7).
Mr. Farmer then addressed the Target Substructure
Search System and listed its four major components: a data
base for search and retrieval; a query input capability; a
screen search and; a retrieval output component.
The data base component for searching will have a
Connection Table component and a screen search component.
These screens (approximately 2000) will be as a dictionary
type that will allow selection of l%-2% of the file as an
answer set. The screen sets have an efficiency of 77.7%
(see graphic page 8).
The CAS Registry III Connection table will be used as a
basis for the search system, to do atom-by-atom search to
reduce "noise", to eliminate non-relevant answers, and to
generate structure diagrams, using th algorithmic structure
display program.
The Question Input component allows the user to
translate the mental image of a question into search
representation. It includes an intellectual process that
the-chemist uses in interacting with the system, and a
mechanical process which entails getting the structure
representation into a computer usable form.
The substructure search component is expected to use a
Hewlett-Packard Intelligent graphic terminal with a table
and stylus, a keyboard and a display service which has two
major parts, a structure display area arid a menu area. The
system is menu-oriented, rather than command oriented.
The menu (an approximate example is seen on page 9 of
the graphics) has a create mode and a modify mode. Pointing
to the menu with the stylus, a user can choose the create
mode and specify a structure (see pages 10-12 of
graphics). A phenol group (Ph) for example, can be added by
using the "Fetch" command, and bonded to the strcture by
using the stylus to point out the atom to which the (Ph)
-------
-10-
group is to be attached. The system corrects for proper
geometry. The system can also accomodate multiple variables
in one question (page 13 of graphics) as well as coordinated
structural and non-structural search (page 15 of graphics).
Some output devices are a standard character
terminal/printer, a modified character terminal/printer, a
graphics terminal, a dot matrix printer, and a photo
composer.
Mr. Farmer then discussed a search scenario (page 16
of graphics). It would take approximately 35 minutes on
the average. The diagram shows, in solid lines, the part
of the system that would be in use, interactive components,
data base component, the computational component. The
screen search and iterative search overlap in time since
they are independent parallel processors. In this way, it
would take 30 seconds to search a 10 percent sample of the
file. The user might then rethink the question, modify the
structure, and resubmit for another search. This may be
yet again repeated. Once the user feels, from the type of
answers returned from the sample 10 percent search, that
the. question has been framed properly, the system can be
directed to search the whole file, overlapping the screen
and iterative searches. It might then take one to five
minutes to get the final answer.
Mr. Farmer noted that the system1 offers Full Substance
Identification by Registry Number, name, structure and
molecular formula. Also featured is substructure search
with structure input, efficiency query input, combined
structure/non-structure searching and retrospective and
current awareness.
Current related work includes work on system
integration problems, evaluating some non-substance
screens, improvement of Search Machine design to reduce
search time, addition of a Xerox laser printer.
Plans for 1980 include installation of the pilot and
its operation which will continue through 1982. In the
spring of 1981, development priorities will be considered,
with input from the market place, customers and the
government. Some possible future priorities for
development are expanding some features currently in the
pilot; addition of applications such as molecular modeling;
and expansion of substructure search to the full file
search with the new Search Machine architecture.
The next meeting of the ITSDC will be on November 13,
1979 at the New Executive Office Building. As there was no
further business, the meeting was adjourned at 12:05 p.m.
-------
ATTENDEES
FEDERAL
Name
Carroll Leslie Bastian
Rita Bergman
Linda Billings
Joseph D. Bloom
Cathy Brooks
Jerry Calderone
Kenneth Chu
Jerry L. Coffey
Ramond E. Corcoran
George E. Cushmae
Terri Damstra
Winston de Monsabert
Erika Graf-Webster
Gary Green
Bernard Greifer
Vera Hudson
Henry Kissman
Albert Konvicka
Richard J. Lewis, Sr.
Calvin M. Menzie
Robert Nicholas
William E. Rhode
Sidney Sieqel
Organization
CEQ
CEO
EPA/OTS/OPII
DOD
EPA/MIDSD
OASH/PHS/DHEW
NCI
OPS PS
Bureau of Mines
DOT/MTB
NIEHS/NIH
FDA/OC
EPA
NCTR
DOC
NIOSH
NLM/NIH
NCTR
NIOSH/DHEW
FWS/FER
CEQ
NIH/OD
EPA
Phone
395-4980
395-5763
755-8040
295-1453
755-0811
472-5194
496-1152
673-7974
634-1318
426-2311
8-629-3471
443-4505
821-2166
501-541-4534
377-3078
443-2100
496-3147
501-541-4534
8-684-8317
343-6521
395-4980
496-9285
755-8040
-------
ATTENDEES
NON-FEDERAL
Name
E. P. Bartkus
George Hoffman
Judith M. Hushon
N. A. Rippenhan
Lillian F. Koehler
William H. Krebs
R. E. Maizell
J. H. Prager
Cheryl Russel
J. N. Weitzel
Adrienne Whyte
Richard Winter
Organization
Du Pont
NAS
MITRE
3M
Johnson & Johnson
GM
01in Corp.
3M
BNA
P. Q. Corp.
Biotechnology
CCA
Phone
302-999-4248
389-6351
827-6930
612-736-1807
201-524-9522
313-556-1597
203-789-6038
612-733-5535
452-4583
215-293-7352
703-573-3700
617-491-3670
-------
MORE SPECIFIC SYSTEM REQUIREMENTS
INQUIRY LANGUAGE CAPABLE OF BOTH
PRECISION AND VARIABILITY
PRECISION
0^ ^N^ . N
<^" "•*
N
r- -^
*^ _^
o
NO TAUTOMERS ALLOWED
VARIABILITY
X=Ci,H
COMBINED STRUCTURAL AND NON STRUCTURAL
INQUIRY PARAMETERS
INFORMATIONAL COM P ATAB I L I TY WITH CAS
REGISTRY III CONNECTION TABLE
-------
ALTERNATIVE SYSTEM CONFIGURATIONS
INPUT
SEARCH
OUTPUT
CHB1INE
750KOTO
STOXHURE
INPUT
FILE SYSTEM
(BIT KAP)
ITERATIVE SEARCH
/Vi)
STOJCIURE OUIPUT
CAS SEARCH i ^
-------
CSNS DEVELOPMENT
2PY
UP:-°ADE CHEMUNE WITH m I/O
DECISION
- •
YEAR
t
OPERATION
SPY
DEVELOP NEW FILE SYSTEM
10 PY
COT10N DEVELOPMENT OF STROJRE IWWOUTM
CftS SEARCH WCHINE DEVEUDPIW AND OP?ATJON
1,5
( DECISION \ -
—-—^^ s
^
-------
CSNS DEVEUTOfT PLAN
ULTimTE CONFIGURATIONS
STR
I/O
FTI F
r 1 1 ~
SYSTEM
^CMPDS
DECISION ---
CHEMINEOR
NEW FILE SYSTEM
750KT01M
CMPDS
CAS
Sfo- CMPDS
\_
CAS
IM CMPDS
CMPDS
-------
T
SERVICE DELIVERY MODEL
2
JO.-B-
o }
}
CO0<»l
-------
SUBSTANCE SEARCH RELATED COMPONENTS,
f=l».
—Us
QKi
Nl
N
P ib»«»' ~" b«M
— . :
U=Llr^"
e
-------
T
CUR RENT SSS ACTIVITIES
(Public and Private Files)
-------
SAMPLE SEARCH QUERIES
Gross Screenout Efficiency
NCI 92.9 40 • 50 (est.)
SANSS 98.9 45.0
CAS/BASIC 98.8 77.7
-------
CREATE QUERY Menu
MENU SUMMARY
THERE ARE TWO MODES OF OPERATION
'CREATE' AND 'MODIFY1. IN THE CREATE
MODE. NEW STRUCTURES CAN BE STARTED
ATOMS OR RINGS CAN BE BONDED TO
EXISTING STRUCTURES. AND FUSED OR
SPIRO RING SYSTEMS CAN BE CONSTRUCTED.
IN THE MODIFY MODE. THE ATOMS OR
BOND TYPES OF AN EXISTING STRUCTURE
CAN BE CHANGED.
MAIN
SEARCH
MOVE
CR MO
( CR mode only )
BOND
SPIRO
R3 R4
R5 R6
R7 R8
( CR or MO modes )
DELETE
C H
N 0
P S
F Cl
Br I
Z X
Q Nt
(MD mode only)
BO RCB
B1 B2
B3 B4
RB CB
B14 B24
-------
CREATE QUERY Menu
N
f ph
MAIN
SEARCH
MOVE
CR MD
.( CR mode only )
BOND
SPIRO
R3 R4
R5 R6
R7 R8
(CR or MD modes )
DELETE
C H
N 0
P S
F Cl
Br I
Z X
Q Nt
(MD mode only)
BO RCB
81 B2
B3 B4
RB CB
B14 B24
-------
PH r
f ph
CREATE QUERY Menu
MAIN
SEARCH
MOVE
CR MD
( CR mode only )
BONO
SPIRO
R3 ^R4
R5 R6
R7 R8
(CR or MO modes )
DELETE
C
N
P
F
Br
Z
Q
H
0
S
Cl
I
X
Nt
(MO mode only)
BO
B1
B3
RB
B14
RCB
B2
B4
CB
B24
-------
CREATE QUERY Menu
MAIN
Ph ~ SEARCH
__ MOVE
! CR MO
( CR mode only )
BONO
SPIRO
R3 R4
R5 R6
R7 R8
S t (CR or MO modes )
/ - DELETE
|\| C H
N 0
P S
F Cl
Br I
Z X
Q Nt
(MO mode only)
BO RCB
— B1 B2
B3 B4
RB CB
B14 B24
-------
• I
X = N, S
Z= N.ANY
fe^
-------
N
SI T fiT ^ SEARCH Menu
C>
^-N
START
STOP
BATCH SEARCH
PAUSE
CONTINUE
1 1=0 DISPLAY
(search control)
KEY LOGIC
STRUCTURE LOGIC
CONTROL PARM
(S1 AND (NOT(S2 OR S3)))
-------
REGISTRY NUMBER 6884-46-4
MOLFORM:
STRUCTURE
N
CA INDEX NAME (9CI):
Imidazo [Jt2-aJ pyrimidine,
7-methyl-2-phenyl-
SEARCH Menu
START
STOP
BATCH SEARCH
PAUSE
CONTINUE
DISPLAY
(search control)
KEY LOGIC
STRUCTURE LOGIC
CONTROL PARM
-------
T
SAMPLE SCENARIO
IHU*
DiuBaM
Mod. Mod. Mod. Rwltw Find Rnuln
•00 100 1000 1200 MOO 1100 1*
BioMd TbM (Mean*)
-------
Minutes of the Interagency Toxic Substances Data Committee
December 4, 1979
I. Introduction
The meeting was held at the New Executive Office Building at 9:30 a.m.
and was chaired by Ms. Carroll Leslie Bastian, Council on Environmental
Quality (CEQ).
II. Subcommittee Reports
1. Chemical Substances Information Network (CSIN) Subcommittee.
Dr. Henry Kissman, NLM, reported that the Chemical Substances
Information Network (CSIN) Subcommittee met November 28, 1979 and discussed
plans for the Chemical Data Base Directory (CDBD)/Chemical Information
Resource Directory (GIRD). An RFP to further develop this component of
CSIN is in preparation at CEQ. A Draft of a Memorandum of Understanding,
prepared by Dr. Bernard Greifer, Department of Commerce (DOC), concerning
the use of Chemical Abstracts Service (CAS) Registry Numbers in agency
files, was distributed and discussed by the Subcommittee. The draft
memorandum calls on the ITSDC to investigate the use of DOC mechanisms
which could establish the CAS Registry Numbers as a Federal Information
Processing Standard (FIPS). Establishing such a FIPS allows the budget
process of agencies to seek reimbursement for the cost of adding the CAS
Registry Number to their chemical information files. Dr. Kissman added
that he subsequently had spoken to a representative of the National Bureau
of Standards (NBS) who indicated NBS1 interest in the process that would
-------
lead to the FIPS classification of the CAS Registry Numbers. The
Subconmitee will present recommendations concerning a final draft of the
memorandum to the Parent Committee at the February 5, 1980 meeting.
Rita Bergman, CEQ, at the CSIN Subcommittee meeting, reported on
receipt of the first progress report from CAS under their contract to
evaluate the feasibility of registering compounds that appear only in the
pre-1965 literature. The Subcommittee also was informed of preliminary
discussions with the National Academy of Sciences (NAS) on its potential
involvement in establishing a peer review of CSIN activities.
2. Toxicology Information Subcommittee
Or. Kissman reported on a presentation made to the Toxicology
Information Subscommittee (TIS) concerning the activities of the
Information Center Complex at Oak Ridge National Laboratory (ORNL),
including efforts of the Toxicology Information Response Center (TIRC).
Discussed at the November 28, 1979 meeting was progress in establishing a
formal relationship with the National Referral (NRC) of the Library of
Congress (LC) to help in the issue of a toxicology related subset of
information resources from the NRC data base, entitled "Directory of
Information Resources in the United States: General Toxicology." A draft
interagency agreement for this activity was presented to the Subcommittee.
The agreement allows the NRC to evaluate the possibility of putting
together such an information resource, including aspects of indexing and
formating to create and periodically update a publication containing some
1200 relevant information resources.
-------
There was a presentation on the status and background of the
publication "Clinical Toxicology of Commercial Products," a sampling of
information concerning the toxicology, composition and use of some common
commercial products. Status reports were given on the Toxicology Research
Directory project, and on Tox-Tips. The Information Response to Chemical
Crisis (IRCC) project is finishing two bibliographies, "The Environmental
Effects of Acid Rain" and "Compostion of Toxic Agents in Chemical Dumps."
IRCC is currently discussing the possibility of distribution of its
bibliographies by the Federation of American Societies for Experimental
Biology (FASEB). The Laboratory Animal Data Bank (LADB) project is
expected to be publically available in January, 1980. Access cost will be
less than $20.00 per hour. The LADB will sponsor a workshop on "Generic
Nomenclature" on December 6, 1979 at the National Library of Medicine.
Dr. Kissman reported on the start of planning of a second symposium on
the handling of toxicological information and invited interested government
personnel to join the planning task group.
Both Subcommittes will meet again on January 17, 1980.
III. Status of the Chemical Substance Information Network (CSIN)
Dr. Sid Siegel, EPA, Network Administrator, reported that through the
Preprototype CSIN, Task, intelligent terminals will be delivered to the
government by February, 1980. Delivery will be to EPA and NLM. One will be
kept at the CCA offices in Boston for further developmental work. Dr.
Siegel also reported that the CSIN prototype document prepared by CCA had
been distributed to the CSIN Subcommittee and to the Parent Committee. A
day long meeting to discuss the technical aspects of the document was held
-------
at CEQ on November 27, 1979 with representatives from CCA, the CSIN
Subcommittee, and the EPA Office of Program Integration and Information
(OPII). Outside experts in attendence were Dr. Shoshani, Senior Computer
Scientist, Lawrence Berekely Laboratories, University of California, Dr.
Stanley Su, Professor of Computer Science, University of Florida, Dr. Steve
Kimbertone, Manager of Network Development, and his colleague Dr. Pearl
Wong of the National Bureau of Standards (NBS). CCA, in presenting in
detail their concept of the CSIN prototype_4 explained user requirements,
analysis hardware, software, requirements and issues concerning
communication and security. The panel of advisors will each consider all
aspects of the prototype including economic feasibility of the project,
evaluate the information and give their reports to the CSIN Subcommittee
through its prototype subgroup. The experts will later meet with the
Subcommittee and CCA for further technical discussion. CCA will then give
a one day seminar to the ITSDC in an open meeting. The CSIN Subcommittee
will present its formal recommendations to the Parent Committee.
Dr. Siegel reported further activities on development of the Chemical
Structure Nomenclature System (CSNS). A CSIN Subcommittee subgroup made up
of representatives of NLM, EPA, AND CEQ met with CAS to discuss how the
CSIN concept might impact the CA system development activities. A CSNS
subgroup met to discuss events of the CAS meeting. A summary of those
discussions is in preparation. The CSNS subgroup will make its recom-
mendations for the technical structure of the Phase I CSNS to the CSIN Sub-
committee . CEQ and EPA legal cousel are being consulted to help define the
Government business posture to be used in USG-CAS talks on the CSNS.
-------
IV- An Overview of the Toxic Substances Control Act (TSCA) Section 8.
Mr. Walter Kovalick, EPA, described Section 8 of the Toxic Substances
Control ACt (TSCA) as a significant tool for information gathering and
analysis useful to EPA and other agencies involved in regulatory activies
concerning chemical substances. Section 8(a) covers most of the information
gathering authority of TSCA. It is further divided into three main levels,
each serving a specific purpose toward regulatory development and/or risk
assessment. Level A, the Preliminary Assessment Information Rule, can
require manufactures to report general use, exposure and production informa-
tion. It applies to chemical manufacturers and processors. This level
will be used to gather basic information on some 2500 chemicals.
Section 8(a) Level B will address a smaller number of chemicals,
approximately 100, and require a greater depth of information on them.
Section 8(a) Level C would call for even greater depth of information on
some 10 to 50 designated chemicals. Levels A and B are expected to be
finalized by December, 1980, Level C in March, 1981.
Another rule under development, a follow up to Section 5, can require
reports on certain chemical substances that have already been through a
premanufact-ore review process.
An example of a specific application of Section 8(a) is the PPB/TRIS
Rule. Proposed on October 2, 1979, it requires any person manufacturing or
importing PPB or TRIS, or anyone proposing to do either, to notify EPA. In
-------
another example of specificity, the Section 8(a)Asbestos Rule allows for
the gathering of information about asbestos from anyone involved in its
mining, manufacture, processing or use in product development. A March,
1980 date is expected for rule finalizaton. This rule will cover any
information needed but not received in response to the Advance Notice of
Proposed Rulemaking jointly published by EPA and the Consumer Product
Safety Commission (CFSC) in the Federal Register.
Section 8(c) requires the keeping of records and the reporting of
allegations of significant adverse reactions to health and the environment
by employees and consumers. A Section (c) Rule proposal is expected in
January, 1980, and finalization at the end of 1980.
Also under development is a Generic Small Business Rule which would
establish standards for the exemption of small business from Section 8(a)
rules. Finalization is projected for November, 1980.
Currently EPA and other agencies are working with the help of the
Resources Management Act to achieve a gathering of necessary information
without duplication of effort between agencies. EPA is currently working
on interagency agreements with several other regulatory agencies to allow a
free and, where necessary, secure exchange of data.
V. New Developments for the Registry of Toxic Effects of Chemical
Substances.
Mr. Richard Lewis of the National Institute for Occupational Safety
and Health (NIOSH) discussed the Registry of Toxic Effects of Chemical
Substances, which is published annually by his organization. The registry
is available in book form, microfiche and online through NLM's TOXLINE and
-------
CHEMLINE, and through the NIH/EPA Chemical Information System as one of its
tox data files. Updates are available for microfiche and on line versions.
The Registry is a list of toxic substances so far identified in the
open scientific literature and those substances' lowest toxic
concentrations. 38,000 substances are cross-referenced by 100,000 names.
Included is information on molecular weight, molecular formula and
structure. A subfile index for manual access to substructure is planned.
Mutation data is presently being captured for display. New this year is
information on skin and eye irritation properties of some 2,000 chemicals.
Main citations are on toxicity data on chemicals affecting humans
and other animals. Specific toxic effects are reported as well as any
effects to the Central Nervous System. Animal data concerning carcinogenic
potential is reported in three categories: carcinogens, neoplastic, and
Equivocal Tumorogenic Agent (ETA). Toxic effects of chemical levels over
those administered to control animals is reported. Included also is
aquatic toxicity for 400 chemicals. Entries also have reviews of animals
carcinogenicity, threshold limit values (taken from the American Conference
of Government and Industrial Hygienists, the source of OSHA's standards)
and toxicology reviews. Also cited are OSHA standards, the NIOSH criteria
documents, and the status of the chemical vis a vis the NCI carcinogenesis
bioassay. Recently, the EPA TSCA inventory has been added. NIOSH is
currently working to include a "Toxic Effect Code", being developed in
cooperation with Dr. Hodge of the University of San Francisco, which
relates toxicity effects of a substance to target organ(s) and damage
pattern.
-------
VI. Miscellaneous
Ms. Bastian noted that because of an insufficient agenda from time to
time, the ITSDC may not meet every month. Notice of meeting cancellations
will be published in the Federal Register.
Ms. Bastian also reported that a Chemical Hazard Alert System subgroup
met on November 28, 1979. The system would provide for the review of the
scientific literature to identify potential chemical hazards as a result of
the production of a new chemical, or the increased production or new use of
an older chemical. The subgroup identified some issues to be considered in
the framework of a feasibility study and will meet again to further out-
line such a feasibility study. There is also discussion of a one day meet-
ding to aid in this work. Ms. Bastian invited any comments on this project.
The next ITSDC meeting will be January 8, 1979. The meeting was
adjourned at 11:30 a.m.
-------
ATTENDEES
Federal
NAME
ORGANIZATION
PHONE
Martin Aronoff
Carroll Leslie Bastian
Linda Billings
Kenneth Chu
Jerry Coffey
George Cushmac
Winston R. de Monsabert
Nan Fremont
Bernard Greifer
Vera Hudson
Henry Kissman
Walter Kovalick, Jr.
Richard Lewis, Sr.
W. M. Parsons
Suzanne Rudzinski
NBS
CEO.
EPA
NCI
OFSPS
DOT/MTB
FDA
EPA
DOC
NIOSH
NLM
EPA
NIOSH
NMRD
EPA
921-3491
395-4980
755-8040
496-1152
673-7974
426-2311
443-4505
755-8040
377-3234
443-2100
496-3147
755-2778
(913) 684-8317
295-1028
755-5851
-------
ATTENDEES
Non-Federal
NAME
ORGANIZATION
PHONE
Chung-Haeahn
Toni Fedorowski
Brad Green
Judith Hushon
Lillian Kochiler
William Krebs
Tony Miller
Chris Perry
Christine Shine
BioTechnology, Inc.
JRB Associates
Koba Associates
MITRE
Johnson & Johnson
General Motors
Battelle
Battelle
Monsanto Co.
(703) 573-3700
(703) 821-4658
387-8840
827-6930
(201) 524-9522
(313) 556-1597
(703) 790-1660
(703) 790-8980
452-8880
-------
INTERAGENCY TOXIC SUBSTANCES DATA COMMITTEE
Council on Environmental Quality
722 Jackson Plac*. N.W.
Washington. D.C. 20006
U.S. Environmental Protection Agency
Office of Toxic Substances
Washington. D.C. 20460
AGENDA
January 8, 1980
9:30 a.m. - 12:00 noon
New Executive Office Building
Room 2010
I. Introduction
II. Status of CSIN
- Dr. Sidney Siegel, Network Administrator, EPA
III. DuPont's Environmental Information Programs
- Dr. Edward Bartkus, Manager of Information Resources,
Information Systems Division, DuPont Corporation
-------
MEMORANDUM
DEPARTMENT OF HEALTH, EDUCATION, AND WELFARE
PUBLIC HEALTH SERVICE
NATIONAL INSTITUTES OF HEALTH
NATIONAL LIBRARY OF MEDICINE
TO
Members, CSIN Subcommittee of the
Interagency Toxic Substances Data Committee
DATE: August 8, 1979
FROM : Chairman, CSIN Subcommittee
SUBJECT: No. 1: Minutes of the June 28, 1979, Meeting
No. 2: Agenda Items for the August 23, 1979, Meeting
Enclosed are the minutes of the CSIN Subcommittee meeting of
June 28, 1979.
The next meeting of the Subcommittee has been scheduled for August 23,
1979, from 1:00 to 4:00 p.m. in Conference Room B, Mezzanine level,
National Library of Medicine. The following items are proposed for the
agenda:
I. Report from the Network Administrator
A. Chemical Data Base Directory (CDBD)
B. Network Architecture
C. Chemical Structure and Nomenclature System (CSNS)
II. Follow-on Contracts
A. CAS Registration of Historical Information
B. Proposal for CDBD
C. Discussion of the Budgetary History for the Chemical Substances
Information Network (CSIN)
III. Miscellaneous
-------
Members, CSIN Subcommittee of the
Interagency Toxic Substances Data Committee
There will be a meeting of the Toxicology Information Subcommittee of the
DHEW Committee to Coordinate Environmental and Related Programs on
Thursday, August 23, 1979, from 9:00 a.m. to 12:00 in Conference Room B
(Mezzanine level) of the National Library of Medicine. Tfce agenda of
this meeting includes (1) a discussion of the activities of the National
Referral Center, Library of Congress in locating toxicological
information; (2) a report from the Environmental Mutagen Information
Center (EMIC) and the Environmental Teratology Information Center (ETIC)
at Oak Ridge National Laboratory; and (3) status reports on a number of
Subcommittee-sponsored projects. Members of the CSIN Subcommittee who
wish to attend the Toxicology Information Subcommittee meeting are
welcome.
Henry M. Kissman, Ph.D.
L/
Enclosure: Minutes
cc: Dr. Marilyn C. Bracken, EPA
Mr. Kent A. Smith, NLM
-------
Minutes of the
Chemical Substances Information Network (CSIN) Subcommittee
June 28, 1979
I. Introduction
The meeting, held at the National Library of Medicine (NLM),
was called to order at 1:04 p.m.
II. Report from Network Administrator
Dr. Siegel (EPA) reported that a presentation had been made to
the Senior Environmental Issues Group at the Department of
Energy (DOE) to explain CSIN and relate it to the Group's
activities.
Dr. Siegel also listed projects being considered for funding
by the Interagency Regulatory Liaison Group (IRLG) in the next
fiscal year; they range from the common codes project to
establishing a model human health record.
III. Ongoing CSIN Activities
A. Chemical Structure and Nomenclature System (CSNS)
Developments
Dr. Siegel reported that arrangements have been finalized
for a performance characteristic test of the CSNS on July
12, 1979. The chaperoned test is being conducted at the
Division of Cancer Therapy (NCI). After the test, the
University of Pennsylvania will prepare its final recom-
mendations for a Chemical Structure and Nomenclature
System.
B. Demonstration of the Chemical Data Base Directory (CDBD)
Prototype
Mr. William Caldwell (NLM) reported that the Chemical Data
Base Directory (CDBD) is a prototype file containing data
on 15 chemical information resources.
In demonstrating a search on the CDBD, Mr. Caldwell
described the hierarchic vocabulary used to classify the
data elements contained in the information resources. The
vocabulary consists of nine categories of information,
including for example, chemical identification,
production, and exposure effects.
-------
C. Network Architecture — Computer Corporation of America
(CCA) Contract
Dr. Siege! (EPA) reported that there are three basic
ongoing activities in this area: (1) a study of CSIN
architecture and alternative architecture; (2) a report on
a CSIN prototype; and (3) an intelligent terminal pro-
posal.
It was suggested that an outline of current proposals be
written to help define the technical evaluation of the
project and to keep Subcommittee members advised on the
order and content of the various CCA documents.
The benefits of intelligent terminals and related
software-hardware alternatives were discussed. A revised
report on the interim requirements for the CSIN will be
available from CCA within the next month.
V. Presentation of the User Cordial Interface for Multiple
Online Systems
Mr. Charles Goldstein (NLM) said that the Lister Hill
National Center for Biomedical Communications functions as
the research and development arm of NLM and is concerned
with the technology of information. The User Cordial
Interface (UCI) is the result of efforts to give the user
better access to the wealth of online information
available. The system can access any data base under
ELHILL and is multi-level to accommodate all types of
users from the student to the trained NLM reference
librarianr
VI. Report on CSIN Five-Year Development Plan
Dr. Siegel reported that a draft of the Five-Year Plan has
been prepared and distributed. Comments are invited and
they will be integrated into the final document. The plan
is concerned with long-range plans for CSIN and addresses
major administrative issues regarding the network.
VII. Miscellaneous
A. Dr. Kissman introduced the idea of a second Sympoisum
on Information Handling in Toxicology, noting that the
TIS Subcommittee had approved such a meeting for July,
1980, and was inviting the CSIN to be co-sponsor. He
suggested structuring the symposium along the primary,
secondary, and tertiary levels of toxicological
information. Those present agreed that the CSIN
Subcommittee would co-sponsor the proposed symposium.
-------
B. A memo Is being prepared to authorize agency heads,
only, to represent agencies involved in CSIN and to
clarify CSIN's position in the greater agency struc-
ture. Each agency head is being asked to assign a
formal agency representative to the Subcommittee.
C. CCA presented a film about a distributed data-base
management system, INQUIRY, that they helped develop
for the Department of Defense (DOD). Mr. Richard
Winter of CCA noted that the distributive query
processing problem addressed in the film is a key
point in CSIN development.
D. The next CSIN Subcommittee meeting will be August 23,
1979, between 1:00 and 4:00 p.m. at the National
Library of Medicine.
The meeting was adjourned at 3:57 p.m.
Nan Fremont x^X/ Henry ^. Kissman, Ph.D.
Recording Secretary // Chairman
-------
Members Present
Dorothy Drago, CPSC
John Wilson, DOE
Sidney Siegel, EPA
Martin Aronoff, NBS
L. H. Geventmen, NBS
Terri Damstra, NIEHS
Richard J. Lewis, NIOSH
Henry M. Kissman, NLM
Invited Guests and Observers
Florence Bayard, NLM
Rita Bergman, CEQ
Aren Horowitz, CCA
Tomas Lozano-Perez, CCA
Richard Winter, CCA
Leonard Schachter, CPSC
Bernie Scharf, CPSC
Roger Connor, EPA
Erika Graf-Webster, EPA
Winston R. de Monsabert, FDA
William Caldwell, NLM
Charles M. Goldstein, NLM
Melvin L. Spann, NLM
R. E. Maizell, 01 in Corp.
William H. Ford, Online Computer Systems
Helga Gerstner, ORNL
-------
Minutes of the Chemical Substances Information Network (CSIN) Subcommittee
of the Interagency Toxic Substances Data Committee, August 23, 1979
I. Introduction
The meeting was held at the National Library of Medicine commencing at
1:20 p.m. Several members of the Toxicology Information Subcommittee, which
had met in the morning, stayed over to participate in this session of the
CSIN Subcommittee. There were no comments on the minutes of the
June 28, 1979 meeting. These minutes therefore stand as written. In
the future, minutes of the Toxicology Information Subcommittee and the
CSIN Subcommittee will be sent to the membership of both groups.
II. Registration of Compounds in the pre-1965 Chemical Abstracts
This item had been discussed at several meetings of the Interagency
Toxic Substances Data Committee (ITSDC) and of the CSIN Subcommittee.
A letter requesting, Chemical Abstracts Service (CAS) to propose a
feasibility study for the registration of compounds that had
been indexed in Chemical Abstracts (CA) only prior to 1965 had gone out.
The letter was signed by Dr. Kissman as Chairman of the two information
committees and Ms. Bastian as co-chairman of the ITSDC. CAS will
prepare such a proposal for consideration by the interagency groups
in as short a time as possible. Hopefully such a proposal can still
be considered for funding in FY '79.
III. Report from the Network Administrator
Dr. Siegel reported that work on a draft interagency agreement with
the Council on Environmental Quality (CEQ) concerning funds for CSIN
activities had been completed in his office. There is now urgency
in placing these funds in contracts so that CSIN work can proceed
in the next fiscal year. Dr. Kissman mentioned that an interagency
agreement between the National Library of Medicine and CEQ
was being finalized. Its purpose is to transfer funds from the
DHEW Committee to Coordinate Environmental and Related Programs to
the CSIN effort.
IV. Ongoing CSIN Activities
1. Chemical Data Bases Directory (CDBD)
Ms. Rita Bergman reported that the Mitre Corp. is completing
work on the descriptive catalogue part of the CDBD.
Mr. John Feulner, National Referral Center (NRC), Library
of Congress (LC) had presented a briefing on the activities
of the NRC to the TIS in the morning. He had been asked to
stay over and present an abridged version of this briefing
to the CSIN Subcommittee. (Note: For a report on Mr. Feulner's
remarks cf. Toxicology Information Subcommittee minutes of
the August 23, 1979 meeting). A discussion of the
-------
NRC and its data base of information resources was of course
particularly relevant to the topic of a Chemical Data Bases
Directory. When questioned, Mr. Feulner estimated that the NRC
data base contained descriptions of some 4,000 information
resources in the area of toxicology and chemistry. It seemed
clear from the discussion that the NRC had at least the "raw
material" for a CDBD. The group wanted to know how this NRC
data could be made available to the CSIN effort. Would it be
possible to use the data base per se^ or perhaps a toxicology
subset of it, as a node in CSIN? Could the NRC/LC be funded by
the interagency effort to prepare a directory of their
information resources for CSIN? Mr. Feulner indicated that
he would bring these comments to the attention of LC
management and would get back with their reactions to the
CSIN group as quickly as possible.
It was mentioned that when the CSIN Subcommittee started its
work, it had representation from LC. However, LC participation
has not continued. The group thought that it would be useful if
NRC couldbe represented on the CSIN Subcommittee and LC as a
whole on the ITSDC. Mr. Feulner agreed also to bring this
recommendation to his management.
2. Chemical Structure and Nomenclature System (CSNS) Developments
Ms. Bergman reported that a final report from the contractor
(i.e. University of Pennsylvania) is expected by the end of August.
When received the report will be distributed to the
Subcommittee.
Dr. Siege! reported on the "chaperoned" tests comparing three
sets of chemical search questions in the chemical information
storage and retrieval system of the Division of Cancer Therapy,
National Cancer Institute. One question each was submitted by
Chemical Information Systems, Chemical Abstracts Service and the
University of Pennsylvania. Performance of the NCI system was
pretty much as predicted in the preliminary report from the
University of Pennsylvania.
3. Network Architecture Contract (Computer Corp. of America ) CCA
A report on current activities of this contractor (CCA) was
also presented by Ms. Bergman. CCA had been asked to supply a
supplemental analysis for their May 29, 1979 report entitled
"Immediate Requirements for a Chemical Substances Information
Network: Analysis and Recommendation". The supplementary
report was presented on July 17, 1979. It listed several
options. Option 1 was to proceed with the intelligent
terminal system along the lines proposed in the original report.
Option 2 would add a disc to the system. Option 3 would also
-------
add word processing capabilities and option 4 would add a
general purpose interface capability. Clearly the options
represent increasing hardware, and software capabilities with
concomitant increases in costs. A telephone poll of "concerned"
people, particularly those in EPA, indicated that option 2
should be adopted. It would be easy to move up to options 3
or 4 at a later data if this became necessary. The contractor
has been told that option 2 would be accepted and he will act
accordingly.
CCA had initiated work on interviewing potential CSIN users.
Discussions have been held with NCI, Fish and Wildlife Service (DOI),
and Bureau of Foods, FDA. They have interviews underway or planned
with OSHA, NIOSH, Bureau of Drugs (FDA), Consumer Products Safety
Commission, Department of Energy and Office of Research and
Development (EPA). Still to be scheduled and implemented are
interviews with Stanford Research Institute and the Environmental
Defense Fund.
CCA has also issued a complete report (technical reports, CCA-79-19,
August 21, 1979) entitled "A Prototype Chemical Substances
Information Network". This is an updated version of an earlier
report with the same title. Ms. Bergman asked the Subcommittee
members for comments on this report. Dr. Siege! mentioned again
that the interagency agreement between EPA and CEQ he had
referred to earlier makes sufficient funding available so that
work on the CSIN prototype can go forward during the next
fiscal year- However CEQ must have must have comments from the
agencies participating in the CSIN activity to make such a
decision possible. Dr- Kissman asked whether there is a
general workscope for the CCA contract that would allow CEQ
to move forward while comments on the recommendations
are coming in. Dr. Damstra suggested that there should be
expert consultants available to the group for the review of
complex systems proposals such as those made by CCA.
Ms. Graf-Webster said that at a forthcoming computer meeting
in San Francisco, at the end of August, she will try to enlist
the help of some experts to form an ad hoc review body.
Dr. Siegel pointed out that the EPA-CEQ Interagency Agreement
makes it possible to hire such expert consultants.
Ms. Bergman provided some additional details on funding, allo-
cation envisioned under the EPA-CEQ agreement. The following
areas will be supported.
(1) secretarial support for three committees, (TIS,
ITSDC, CSIN subcommittee).
(2) technical support for the CSIN network administrator.
-------
4.
(3) feasibility study of registering compounds in the
pre-1965 CA.
(4) support for the network architecture contract.
There was no specific allocation for continued work on the
CDBD or the chemical structure and nomenclature system.
However, if some arrangement with the NRC/LC could be worked
out in time for funding in FY '79, the former project also
could proceed. Mr. Hummel and his staff at NLM had prepared
an RFP to identify organizations that collect information
about information resources in the general CSIN subject area.
If time permits it, one might go forward in this area either
with the NRC/LC or some alternate organization.
Ms. Bergman emphasized that if agencies wanted intelligent
terminals under the CCA proposal for "immediate requirements
for CSIN" this could be done early in 1980. The costs would
$16,000-$17,000/installation. Agencies should contact her
or Ms. Bastion at CEQ.
The discussion reverted to CCA's user study effort.
Are the interviews effective? Who in FDA was being contacted?
These were some of the questions being asked by the group.
Ms. Bergman stated that the agencies had submitted the
names of people for such interviews to the network admin-
istrator. The people to be interviewed are those who would
make use of CSIN to fulfill their daily needs for information.
The total list contained the names of some 50 people.
CCA made initial contacts and thereby got additional
names for subsequent interviews. The methodology of the
interviews is as follows: CCA staff conducts a seminar for
agency people in which they explain what CSIN is all about.
They then go into a question and answer session. They have a
questionnaire which they fill out during the interviews.
After the session they go back and verify the information
they have collected on the questionnaire. Ms. Joan Chase
(Carcinogenesis Program, NCI) described her interview session
with CCA. She told CCA that she needed information
on chemicals that had been selected for long-term bioassay.
Ms.Gerstner mentioned that the CCA team had also visited the
Oak Ridge National Laboratory. They had sent out some "premeeting"
information (slides) and she (Ms. Gerstner) had distributed
this material to relevant people at ORNL. Ms. Bergman asked to
be informed if the CCA teams were not following up on the
interview sessions.
-------
5.
4. Five Year Plan
Both Ms. Bergman and Dr. Siege! emphasized again that
comments were needed from the group on the CSIN five
year plan that had been distributed. Ms. Graf-Webster
stated that she needed comments on: (1) what was
left out; and (2) whether the numbers (i.e. funding,
milestones, etc.) look unreasonable. In preparing this
plan she had input from CCA and the University of
Pennsylvania.
V. Miscellaneous
Dr. Kissman mentioned that through recent funding action by the Congress,
the National Library of Medicine may be given FY '80 funding for imple-
mentation of the Chemical Structure Nomenclature System of CSIN. He
also asked who was working on the organizational aspects of the interface
between the network and nodes designated for the prototype CSIN. Of
particular concern here were arrangements that would have to be made if
the National Library of Medicine information services (which have been
targeted as being in the prototype) are to be linked into the network.
Who is planning'this work; what sort of discussions with the management
of NLM should be initiated, etc.? There was agreement that the network
architecture contractor, who would probably be responsible for outlining
some of the requirements for such interaction, had not initiated specific
work along these lines.
There was concern expressed by Ms. Bergman and Ms. Graf-Webster that the
CSIN Subcommittee was too slow a mechanism for obtaining comments on
proposals and other action items where a fast turn-around was required.
It was suggested that consideration should be given to the formation of a
small Steering Group that would be available for immediate response.
The next Subcommittee meeting will be held on October 11, 1979 from 9 a.m.
to 12 noon at the National Library of Medicine. It is planned to have
CSIN Subcommittee meetings and TIS meetings alternate in using the
morning and afternoon time slots for their meetings. The Subcommittee
meeting was adjourned at 3:30 p.m.
Signed:
M. Kissman, Ph.D.
Chairman
-------
6.
CSIN Subcommittee
Members Present
Ms. Claudia Lewis, CDC
Ms. Rita Bergman, CEQ
Ms. Dorothy Drago, CPSC
Mr. Leonard Schachter, CPSC
Mr. Bernie Scharf, CPSC
Ms. Erika Graf-Webster, EPA
Dr. Sidney Siege!, EPA
Mr. Winston R. deMonsabart, FDA
Ms. Helga Gerstner, ICC/ORNL
Dr. George Hoffmann, NAS
Mr. Martin Aronoff, NBS
Dr. Terri Damstra, NIEHS
Dr. Henry Kissman, NLM
Invited Guests and Observers
Mr. John Feulner, NRC/LC
-------
TVTF A/TOR ANDTTlVf DEPARTMENT OF HEALTH, EDUCATION, AND WELFARE
IV-LJ-jlV-LW JVr\.l> LJ \J 1V1 PUBLIC HEALTH SERVICE
NATIONAL INSTITUTES OF HEALTH
NATIONAL LIBRARY OF MEDICINE
TO • Members, CSIN Subcommittee of the DATE: October 3, 1979
Interagency Toxic Substances Data Committee
FROM : Chairman, CSIN Subcommittee
SUBJECT: Agenda Items for the October 11, 1979, Meeting
The next meeting of the CSIN Subcommittee has been scheduled for
October 11, 1979, from 9:00 a.m.-12:00 Noon in Conference Room B,
National Library of Medicine. The following items are proposed for
the agenda:
Memorandum of Understanding Concerning the Use of CAS Registry
Numbers in Agency Files
Reports from Other Interagency Committees
Report from the Network Administrator
CSIN Support Activities
Chemical Structure and Nomenclature System (CSNS)
Chemical Data Bases Directory (CDBD)
Network Architecture Contract
Registration of Compounds Indexed in the Pre-1965 Chemical
Abstracts
Please note that the meeting of the Toxicology Information Subcommittee
is also scheduled for October 11, 1979, at 1:00-4:00 p.m., Conference
Room B, National Library of Medicine.
The minutes of the August 23, 1979, meeting are not ready for mailing
at this time. They will be distributed at the October 11, 1979, meeting
and mailed to those not attending.
cc: Ms. Erica Graf-Webster. EPA
Ms. Marion Suter, EPA
Ms. Rita Bergman, CEQ
Ms. Nan Fremont, EPA
Mr. Kent A. Smith
Ms. Florence M. Bayard
Henry/M. Kissman, Ph.D.
-------
Minutes of the Chemical Substances Information Network (CSIN) Subcommittee
of the Interagency Toxic Substances Data Committee,
October 11, 1979.
I. Introduction
The meeting, held at the National Library of Medicine (NLM), was
called to order at 9:00 a.m. The minutes of the August 23, 1979 meetings
of the CSIN and the Toxicology Information Subcommittees (TIS) were
distributed to Subcommittee members.
II. Memorandum of Understanding Concerning the use of Chemical Abstract
Registry Numbers in Agency Files
The Chairman reminded the Subcommittee that the Toxic Substances
Strategy Committee's Report (in draft) to the President recommended that
government agencies adopt CAS Registry Numbers as the identification
standard for chemical substances in their files. Consequently, the Council
on Environmental Quality (CEQ) prepared the draft of a "Memorandum of
Understanding Concerning the Use of Chemical Abstracts Service Registry
Numbers in Agency Files" which was distributed to appropriate agencies for
comment. Responses to the draft Memorandum resulted in CAS Registry
Numbers being recommended, but not required, as the standard chemical
identification codes, for both retrospective and current files.
Dr. Bernard Griefer, (NBS) added that the Memorandum is essentially an
attempt to establish a Federal Information Processing Standard (FIPS) for
data bases with chemical information. As the setting of a FIPS is a
responsibility of the National Bureau of Standards (NBS), it would be
-------
-2-
appropriate for the NBS to explore establishment of the CAS Registry Number
as a FIPS. The NBS would first conduct a one to two-year survey to
establish the costs and benefits of adopting the CAS Registry Numbers as a
standard. During this time, the CAS numbers could still be used on an de
facto basis. After the standard is instituted by the NBS, the agencies
could be reimbursed for the cost of data conversion. This reimbursement
would encourage those agencies whose data conversion costs would make
standardization financially prohibitive. Dr. Griefer also addressed the
effect of instituting CAS Registry Number use on an organization like NTIS
which deals primarily with derivative files. If the CAS Registry Number
is established as a FIPS, the responsibility for its use would be
assumed by agencies submitting information to NTIS, and not by NTIS itself.
Dr. Kissman noted the problems involved in mapping different sets of
chemical identification numbers. For example, the ITSDC had heard comments
on ways of linking the Department of Transportation (DOT) UN
Number, indentifying hazardous chemicals in transport, to the CAS Registry
Numbers. As there is no one-to-one relationship between the systems, this
is often difficult. Dr. Griefer agreed to prepare a paragraph for
insertion into the draft CEQ Memorandum of Understanding that identifies
the use of the CAS Registry Number as a de facto process so that the
agencies can work on conversion problems, while the NBS is invited to study
the system with a view to establishing a possible FIPS.
-------
-3-
III. Reports from Other Interagency Committees
Dr. Sid Siegel, EPA, discussed the status of the Information Exchange
Group (IEG) of the Interagency Regulatory Liaison Group. The IEG is
currently considering the purpose and function of the group, i.e., should
IEG simply exchange information between agencies, or should the group,
having identified some of the problems and issues, formulate projects to
address common needs? Dr. Siegel felt that the group should be
concerned with developing projects, and that these projects could be
channeled to the CSIN Subcommittee and then be integrated into a larger
information activity. During the next few months, the IEG hopes to clarify
it's role and to draft a statement of functions.
IV. CSIN Support Activities
1. Chemical Structure and Nomenclature System (CSN5)
Dr. Siegel, as Network Administrator, reported that while the
University of Pennsylvania (U. of P.) feasibility study for CSNS was being
completed, the CAS approached the CSIN group and expressed an interest in
contributing to CSNS development. (Dr. Kissman noted that CAS is currently
creating a substructure search system for the 5 million CAS Registry System
compounds, whose capabilities appear to overlap with many of the capa-
bilities described in the U. of P. report in identifying the ideal CSNS.)
In response to this CAS interest, Dr. Marilyn Bracken, (EPA), Dr Siegel,
Mr. Bruno Vasta (EPA) and Dr. Kissman met in July 1979 with representatives
from CAS regarding the U.S. Government's (USG) long and short range
-------
-4-
requirements for a CSNS. Following this meeting, the American Chemical
Society (ACS) Conmittee on Chemical Abstracts met in executive session
with the aforementioned government group and approved CAS-USG
collaboration in CSNS development.
Dr. Chu (NCI), expressed concern that the involvement of CAS at
this time might limit our options of reviewing a future route for CSIN
development. It was emphasized that no definite commitment had been made
to CAS and that discussions with CAS are continuing in an effort to prevent
waste of time and resources in overlapping developments of CSNS and the CAS
system.
Dr. David Lefkovitz (U. .of P.) then gave an overview of the U. of P.
report on CSNS requirements. [The report is available for distribution.]
He stated that the report contains both the functional specifications of
CSNS as well as some planning recommendations and additional study topics
that address increased system flexibility. The Subcommittee was also
reminded that any recommendations made by an ad hoc subgroup of technical
experts currently being identified, will be reviewed by the Subcommittee to
incorporate into their own recommendations to the ITSDC.
The U. of P. study began in 1978 and addressed its task in two
phases. First, a CSNS users requirements analysis was performed and a
preliminary report was issued. The selection of functional specifications
of an "ideal" CSNS and a subsequent assessment of a number of existing,
computerized chemical information systems made up phase two. It was
concluded that CSNS development would require the combination of a number
-------
-5-
of features available in individual systems but that no one existing
system would fulfill all of CSNS requirements. The study produced a matrix
of about 150 functional requirements for the system of which three are
major requirements.
Continuing, Dr. Lefkovitz explained the approach taken to the study.
(Please see the attached graphics.) A sample of government agencies were
interviewed. Site trips were taken to view actual systems. A substructure
search methodology workshop, attended, by 20 representatives from
government, industry and academia, was held. Some 11 systems were
analyzed, including the proposed CAS System. Next, there was in depth
direct testing of three "finalist" systems, CHEMLTNE, the system which is
used by NCI's Division of Cancer Treatment, and the SANSS component of CIS.
Finally, there was communication with the Computer Corporation of America
(CCA) on interface problems between CSNS and CSIN.
Dr. Lefkowitz first reviewed the conclusions of the workshop/study
group that specified the functional requirements of CSNS (cf. attached
slides). Recommended search capabilities included searching by: CAS
Registry Number, synonymous names, name fragments, complete or partial
molecular formula, substructure, spectra and by algorithmically encoded
features (i.e., "screens" or "keys").
The CSNS search must be able to accomodate Underfined, Variable
Composition and Biological substances (UVCB), i.e., substances that cannot
be readily defined by structural formula.
Dr. Lefkovitz then described some operational system requirements
which were delineated by the workshop participants. Regarding file size,
-------
-6-
the group felt that the system should be able to support a minimum of one
million compounds, and that ultimately, it should be able to search the
content of the total CAS Registry System (i.e., in excess of 5 million
compounds).
The workshop determined that the community of users would be almost
universal, including government, industry and research groups. The mode of
operation would be interactive. CSNS should be 'able to serve 200 full
structure searches or 50 substructure searches users simultaneously.
Dr. Lefkovitz noted here that the technical approach taken by CAS in
creating an interactive search system is different from the one suggested
in the U. of P. study.
In the area of more specific system requirements, the CSNS inquiry
language should be capable of both great precision and flexibility. (See
page 4 of the attachment). Among the most effective search languages at
present are the Merck system with its "X-Z" capability, and the Upjohn
system. Dr. Lefkovitz noted that there should be informational compati-
bility with the CAS Registry III Connection Table. Lastly in this area,
there should be user-created catalogue keys for performing current
awareness searches, or creating profiles of interest.
Dr. Lefkovitz then listed three major development problems. The first
is graphic input and inquiry variability. This problem is fairly well
Y
solved by approaches developed by Merck and Upjohn, as well as by some
methods being used by SANSS, NCI, and others. The second problem revolves
around operational issues associated with the interactive search of a multi-
-------
-7-
million compound file. The third problem pertains to output; there
should be high quality structural display for both low and high speed
terminals.
Dr. Lefkovitz then spoke about the solutions to these problems. For
the input, and more specifically the graphic input problem, the solution is
partly a system of keyboard commands, as originally developed by Dr.
Richard Peldman (DCRT, NIH), which has been incorporated into both the NCI
and SANSS systems. This system has two advantages: (1) it can be used on
non-graphic; ordinary character terminals; and (2) it can enter structures
rapidly. However, the system lacks the ability to craft certain types of
configurations. Three or four bonds from a single origin, or a bridge
across the middle of a ring structure are examples of chemical graphics not
well processed by the system. In this area, the Rohm and Haas Company has
developed a cursor graphic system that handless such structures better.
From an inquiry variability standpoint, the X-Z substitutions of Merck
are recommended. The report also cites the ring/nucleus keys of the NCI
system, and the atom-centered fragments in both the NCI and SANSS systems,
as being potentially useful here. SANSS has a powerful set of keys called
RPROBE which could possibly be incorporated into the CSNS. Some upgrading
of the RPROBE keys is currently being considered by the SANSS development
contractor.
There is a two part solution to the large file search problem. First
is the key search response time. In the File Structure Feasibility
Study, three applicable methodologies were identified. Two of them follow
-------
-8-
what is called inverted lists. One is the Bit-Map Inverted List approach
used by the NCI. The other is the Pointer List approach, the most efficient
example of which is used in the CHEMLINE Software (i.e. ELHILL). The study
cites the Bit-Map approach as having far greater extendability for use in
multi-million compound files. It is, in fact, a method developed for large
files. The third approach is the serial-parallel approach. It involves
serially searching a number of screens, but breaking the search up into a
number of pieces. This is basically the approach used by CAS. The study
recommends either a feasibility study in this area, or simply waiting to
observe the degree of effectiveness of the proposed CAS system.
Another part of the "key search response time" solution is a file size
limitation, which will depend on the results of a recommended future
feasibility study, i.e., can CSNS be extended to five million compounds?
Relevant here is the degree of success of the CAS system, how well
functional requirements have been met, and possibly a study on the costs
and benefits of searching an extremely large file.
Dr. Lefkovitz added that in order to improve the operational response
time, some improved search keys are required. Options include:
(1) certain NCI keys, (more efficient form of the atom-centered fragments
mentioned earlier); (2) the SANSS RPROBE; and (3) the BASIC (or Swiss)
screens used by CAS. [The entire list of improved key option is shown on
page 8 of the attached "graphics.] An improved key assignment algorithm
should also be considered. The partial application of a weighted logic
scheme or some other heuristic approach could increase search efficiency.
In summarizing this part of the operational solution, Dr. Lefkovitz noted
-------
-9-
that he had mentioned methods of increasing efficency of the system through
computer access, through refinement of the keys, and through different key
assignment strategies. The second operational problem concerns the
iterative search. After the key search is completed, a large number of
"hits'1 may require atom-by-atom, bond-by-bond searching of the Connection
Table. The solution is to recede existing iterative search programs to
achieve maximum efficiency. A very high speed CPU would have to used in
order to provide sufficiently rapid response times. Alternatively, the use
of multiple CPUs can be considered.
Or. Lefkovitz then addressed the output/printing problem. Chemical
structures may be represented in two ways in the computer. One is by a
vector method, and the second by a matrix. The difficulty is that while
the structure intelligibility is much higher in the vector representations,
the quality of current printer terminals is substantially better in the
matrix mode. Laser printers with vector capability are starting to be
produced, but are not yet well developed. Transferring of chemical
structure information into computer form, is a "solved" software problem.
The study recommends the use of a very sensitive program developed by CAS
to assign coordinates to the Connection Table, an option that works well.
Thus, the solution to the output problem is firstly, the use of the CAS
vector display program with existing devices, like Tektronix or Hewlett-
Packard terminals. Secondly, while waiting for the development of a
quality laser printer in vector mode, the study recommends the development
of a conversion program to print on a matrix device, or use the existing
matrix display program in SANSS, which would need seme upgrading for CSNS
use.
-------
-10-
Dr. Lefkovitz then reviewed the CSNS Design Concept (as shown on page
12 of the attached graphics). Here, the original functional requirements
are broken into three broad groups, the spectral systems, name searching,
and structural searching. The spectral systems already exists in a highly
specialized, fairly well developed form in CIS, and can be made available
by incorporation through CSIN. There are also existing name search
systems, (e.g., CHEMLINE).
In terms of a CSNS development plan, the study suggests that a CSNS-1
can be developed to handle 1-1.5 million compounds in a two year period.
The system would begin operation in the third year, during which a decision
would be made regarding expansion to total CAS Registry search. The basis
of such a decision would be presumably the success and acceptability of the
CAS system. At that point, CSNS will go in one of two directions. Either
it will expand, to a CSNS-2, to handle the 5 million compound file, or the
CAS system will be used.
Dr. Lefkovitz added that he will present highlights of the U. of P.
report to the ITSDC on November 13, 1979.
Following Dr. Lefkovitz's presentation, the Chairman began to assemble
a group to conduct an in-depth review of the U. of P. study. The group
includes: Dr. Chu, Ms. Graf-Webster, Dr. Kissman, Dr. Siegel, Dr. Spann and
tentatively, Dr. Griefer.
2. Chemical Data Bases Directory
Ms. Rita Bergman, (CSQ) reported on the Chemical Data Bases Directory
(CDBD). The MITRE Corporation contract for the CDBD has terminated with
the publication of their final report. Volume I of the report delineates
-------
-11-
guidelines for developing data base directories. Volume II is an indexed
directory of some 50 ofcemical information resources. The subcommittee
agreed that updating and enlarging the scope of the directory would be
desirable.
In conjunction with the CDBD Project, Mr. John Feulner (National
Referral Center, Library of Congress) said that the NRC/LC could be funded
from other agencies for specific projects, and would be interested in
participating in the publication of a new edition of the 1969 toxicology
information resources directory. He calculated that a directory of
approximately 1000 entries would cost around $75,000. If NRC were not the
primary developer of such a directory, Mr. Feulner added that they could
provide from their data base a printout of the pertinent information
resources that ought t;p be considered. He estimated that there were 1,500
such organizations.
3. Network Architecture Contract
Dr. Siegel reported that because of the complex nature of the CCA
proposal for the CSIN prototype, an ad hoc review group of experts is
being assembled. Among those being requested to participate on this panel
are past project officars of CCA contracts, as well as individuals from
NBS, including Dr. Steve Kindelson, who is particularly experienced with
distributed data base management systems.
Ms. Bergman reported that the CCA report had been distributed to
members. She emphasised the need for written comments by October 31. She
also reported the signing of a contract amendment with CCA for the sum of
$540,000 to include the following tasks: (1) the expansion of the original
user requirement study to encompass 25 to 30 organizations (this report is
-------
-12-
due January 1980); (2) CCA will implement the pre-prototype microprocessor
system to meet the immediate needs of the CSIN community as well as to
collect use data; (3) CCA will design Version I of the CSIN prototype.
Funding to allow CCA to consult with technical experts on various CSIN
problems has also been included in the contract amendment.
Ms. Bergman also reported on current CCA progress. Interviews
needed to analyze CSIN user requirements are nearly completed at
Occupational Safety and Health Administration (OSHA), Office to Toxic
Substances (EPA), the Bureau of Poods (FDA), NCI, Stanford Research
Institute (SRI) and the Federation of American Societies for Experimental
Biology (FASEB). A report entitled "Sample Analysis of Requirements for
CSIN" has been completed and is currently being reviewed at the Office of
Testing and Evaluation (OTE). The analysis of systems alternatives, which
is contingent on results of the requirements analysis study, will be
completed in February, 1980.
4. Registration of Compounds Indexed in the Pre- 1965 Chemical
Abstracts
Dr. Kissman reminded the Subcommittee that the registration of
compounds indexed only in the pre-1965 Chemical Abstracts was proposed in
the 1978 CEQ report to Congress.
Ms. Bergman reported that in response to a a request from the
CSIN Subcommittee to CEQ, CEQ requested that CAS submit a proposal for
studying the feasibility of registering chemicals from the pre-1965 CA
Indexes. A $137,590 contract was signed with CAS to conduct that study,
-------
-13-
and to select an experimental approach for implementation. Only this phase
of the project has been funded. The projected Phase II would apply
developed software to portions of the index to determinekctual effective-
ness. The Phase I final report is due by the end of the fiscal year. In
commenting on this, Dr. Kissman cited some of the difficulties in this
project. He noted that the compounds are indexed in Chemical Abstracts,
subject and molecular indexes. The problem is finding the most efficient
and inexpensive method of getting the structure information on the com-
pounds so mentioned into the CAS Registry System. There have been
estimates that there are some 2 million compounds involved.
V. Other Business.
1. Republication of "A Directory of Information Resources in the U.S.;
General Toxicolgy"
Dr. Kissman said that the publication of this Directory was first
sponsored by NLM in 1969. A proposal is currently being considered by NLM
for cooperation with NRC/LC to republish the Directory. Such a task would
be done in coordination with the CSIN effort. The Subcommittee agreed
that such an updating of the Directory would be desirable. Mr- Feulner
reiterated that such a republication effort would be feasible (c.f. Mr.
Feulner's remarks under "CDBD".
2. Toxicology Information Subcommittee (TIS)
Dr. Kissman reported on two items that might be of particular interest
to those CSIN Subcommittee members who could stay for the .afternoon meeting
of the TIS. One is a discussion of an approach to computerization of what
-------
-14-
he called "Government Monographs," including the NIOSH Criteria Documents,
and other government reports. The second is the consideration of a
proposal of a Chemical Hazard Alert System as generally described by the
Toxic Substances Strategy Committee, which will monitor the literature and
look for new biological or chemical events that might be of concern to
different agencies in either research or regulation areas.
The next meeting of the Subcommittee was scheduled for November 28,
1979, from 9:00 a.m. to 12:00 noon, at the National Library of Medicine.
The TIS Subcommittee will meet on the afternoon of that same day. As there
was no further business, the meeting was adjourned at 11:45 a.m.
-7 J0s*t*Jf+J[
Nan Fremont Henry M. Kissman, Ph.D
Executive Secretary Chairman
-------
ATTENDEES
10/11/79
Name
Rita Bergman
Joan Chase
K. Chu
Paul Craig
Winston R. deMonsabert
Dorothy Drago
Jerry Edge
John Feulner
Helga Gerstner
Erika Graf-Webster
G. Green
Bernard Greifer
Mike Hazard
H. Kissman
Claudia Lewis
Bill Rhode
Leonard Schachter
Bernard Scharf
Bob Schultheisz
B. Van Scoyoc
S. Siegel
Mel Spann
Don Walker
John Wilson
Organization
CEQ
NTP
NCI/NIH
NLM-SIS
FDA/OC
CPSC
NLM
LC/NRC
ORNL/ICC
GA/CEQ
FDA/NCTR
DOC
NLM
NLM/HIH
CDC
OD/NIH
CPSC
CPSC
NLM
MID/FSQS/USDA
EPA/OTS/OPII
NLM
NLM-SIS
DOE/EV
Phone
395-5763
496-1152
496-1152
496-1131
443-4505
492-6990
496-1131
287-5671
674-7803
821-2166
542-4584
377-3078
496-1131
496-3147
FTS-236-3266
496-9285
492-6990
492-6470
496-1131
436-8154
755-8040
496-1131
496-1131
353-4684
-------
MORE SPECIFIC SYSTEM REQUIREMENTS
INQUIRY LANGUAGE CAPABLE OF BOTH
PRECISION AND VARIABILITY
N
PRECISION
p "
N
^ ^
>w_ _ . ^
o
«^ ^
NO TAUTOMERS ALLOWED
VARIABILITY
-Y O \-X X=CuH
>—<
COMBINED STRUCTURAL AND NON STRUCTURAL
INQUIRY PARAMETERS
INFORMATIONAL C0MPATABILITY WITH CAS
REGISTRY III CONNECTION TABLE
-------
THE OUTPUT PROBLEM
PERFORMANCE OF DISPLAY ALGORITHMS
AND HIGH SPEED PRINTERS
QUALITY
VECTOR
C II EMI
MATRIX
STRY
VECTOR
PRI
MATRIX
NTER
VECTOR
CHEMI
MATRIX
STRY
VECTOR
MATRIX
PRINTER
PRESENT
FUTURE
-------
11
SOLUTION TO THE OUTPUT PROBLEM
1, USE CAS CVECTOR) DISPLAY WITH
EXISTING DEVICES:
• TEKTRONIX OR HP FOR INTERACTIVE
• ELECTROSTATIC CVERSATEC) FOR
HIGH SPEED
2, EITHER
DEVELOP A CONVERSION PROGRAM TO
PRI NT ON A MATRIX DEVICE,
OR
USE THE EXISTING MATRIX DISPLAY
PROGRAM I N SANSS
3, ANTICIPATE THE AVAILABILITY OF LASER
PRINTER IN VECTOR MODE,
-------
CSIN
SPECTRAL
SYSTEMS
EXEC
CHEMLINE
EXEC
CSS
EXEC
UVCB
^
J C SSS J
AME FRA
I
G) TNAME j
1
TRUCTURE
CHEMLINE: SANSS NCI
CSNS DESIGN CONCEPT
CAS
MERCK
NCI
ROHM &
HAAS
SANSS
-------
CSNS DEVELOPMENT PLAN
+ DEVELOP CSNS-1
•1,511 CMPD FILE
> USE EXISTING SYSTEMS
* CSNS-1 OPERATION
^DECIDE ON EXPANSION
TO 5M-t .CMPD FILE
EXPAND
CSNS
^DEVELOP CSNS-2
« 5M + CMPD FI LE
*CSNS-2
• INTERACTIVE
SEARCH OF
1 , 5M
• CAS SEARCH
OF 5M +
• COMMON FRONT
END IF POS-
S IBLE
YEAR
0
i
3
-------
MEMORANDUM
TO
DEPARTMENT OF HEALTH, EDUCATION, AND WELFARE
PUBLIC HEALTH SERVICE
NATIONAL INSTITUTES OF HEALTH
NATIONAL LIBRARY OF MEDICINE
Members, CSIN Subcommittee of the Interagency DATE. January 7, 1980
Toxic Substances Data Committee
FROM : Chairman, CSIN Subcommittee
SUBJECT: (1) Minutes of the November 28, 1979, Meeting
(2) Agenda Items for the January 17, 1980, Meeting
Enclosed are the Minutes of the CSIN Subcommittee Meeting of November 28,
1979.
The next meeting of the Subcommittee has been scheduled for January 17,
1980, from 1:00-4:00 P.M. in the Billings Auditorium, (entrance - "A"
level near loading dock), National Library of Medicine. The following
items are proposed for the agenda:
Report from the Network Administrator
Use of CAS Registry Numbers in Agency Files
Chemical Structure and Nomenclature System
Network Architecture
Chemical Data Bases Directory
Symposium Plans and Organization of Task Group
Report from Parent Committee
There will also be a meeting of the Toxicology Information Subcommittee,
DHEW Committee to Coordinate Environmental and Related Programs on
Thursday, January 17, 1980, from 9:00 A.M.-12:00 noon in Conference Room
B (Mezzanine level) of the National Library of Medicine. The agenda
includes reports from other interagency committees and from subcommittee
projects. Members of the CSIN Subcommittee who wish to attend the
Toxicology Information Subcommittee meetings are welcomed.
Henry M. Kissman,
Enclosure: CSIN Minutes - 11/28/79
cc: Dr. Marilyn C. Bracken, EPA
Ms. Erica Graf-Webster, EPA
Ms. Carroll L. Bastian, CEQ
Ms. Rita Bergman, CEQ
Dr. George J. Cosmides, NLM
Mr. Kent A. Smith, NLM
-------
Minutes of the Chemical Substances Information Network (CSIN) Subcommittee
of the Interagency Toxic Substances Data Committee (ITSDC)
November 28, 1979
I. Introduction
The meeting, held at the National Library of Medicine (NLM), was called
to order at 9:00 a.m. The minutes of the October 11, 1979 meeting will
be distributed by mail to Subcommittee members.
II. Chemical Substances Information Network (CSIN) Support Activities
1. Chemical Structure Nomenclature System (CSNS)
The Chairman summarized the status of CSNS activities. An overview
of the University of Pennsylvania (U. of P.) report concerning
requirements for a Chemical Structure and Nomenclature System (CSNS)
was presented to the Subcommittee at its October 11, 1979 meeting, and
also to the Interagency Toxic Substances Data Committee (ITSDC) at its
November 13, 1979 meeting, by Dr. David Lefkovitz (U. of P.). Also
at the November ITSDC meeting, Mr. Nick Farmer, Chemical Abstracts
Service (CAS), reported on the CAS Target System (i.e. the online
substructure search system for the 5 million (plus) compound CAS
Registry System ) now being developed. On November 14 and 15, 1979,
a subgroup of the CSIN Subcommittee visited CAS in Columbus for an
intensive review of plans for the CAS Target System. A site report
has been prepared by Ms. Graf-Webster. Other meetings were held
with representatives of CAS, on November 19 and 20, 1979. Lastly
there was a meeting concerning the CSNS activity on November 27, 1979
with representatives from the CSIN subgroup, CAS, and the Computer
Corporation of America (CCA), and the network administrative
contractor.
Dr. Siegel, (EPA) reported that the CSIN subgroup, involved in these
CAS discussions concerning CSNS, is working to develop a final report
within the next 60 days. The subgroup will then make recommendations
to the Subcommittee. Counsels from EPA, the Council on Environmental
Quality (CEQ) and possibly DREW also will be asked to the Subcommittee
on the legal/business issues involved in a possible collaboration
between the US government and CAS on CSNS.
Dr. Kissman then focused on some of the technical aspects of the
discussions with CAS. First he reiterated some basic requirements
for a CSNS as stated in the University of Pennsylvania study; viz.:
full and substructure search capability; minimum file size of one
million records expandable to five million plus records; and
nomenclature search capability. The system should be interactive, and be
-------
2.
able to handle 50 simultaneous substructure searches and 200
simultaneous full structure searches. It should also have high
quality output display and some method for subsetting the files
for more efficient searching.
The main issue here is whether the CAS Target System can fill these
requirements, and have the technical capability to function as the
CSNS for the CSIN project. If the answers to these questions are
positive—and it now appears that they are—the Target System
probably should be accepted as "the CSNS". The group then must
consider the development of an interim system—CSNS-1—to be
used while the CAS Target System is in development. In order to be
worthwhile, CSNS-1 should be implemented before 1981.
CAS has suggested that the CAS Inquiry System, developed by the
National Cancer Institute (NCI), Division.of Cancer Treatment,
be adapted and used as CSNS-1. The Inquiry System currently provides
substructure search capabilities for "private" files (e.g. the NCI/DCT
files). Content of the system would be essentially that of CHEMLINE,
450,000 compounds. Initially, the NCI-developed search screens would
be used, to be replaced with CAS screens at a later date. The system
would have structure input via typewriter, iterative search capability,
full-substance identification structure output capability (using a
vector mode or by activating the "Feldman Capability") and batch search
and output capability. The system would be available to 5-10 simultaneous
terminals and be able to accommodate up to 750,000 records. It would be
available within 6 to 8 months after the start of the project. There
are some weaknesses to an upgraded Inquiry System. The locator capability
is not built in and would have to be put in a cross-reference file. The
system has no Name or Name Fragment search capability; thus, it would have
to be limited to CHEMLINE in the NLM computer through the CSIN query
processor. Accomplishing this would require rapid development of the
linkage software by CCA. The Subcommittee generally agreed that with
the necessary upgrades the Inquiry system linked to CHEMLINE would be a
good interim CSNS-1 solution. It was noted that certain other existing
chemical information systems in various agencies would continue to be
supported and maintained. In this way, capabilities such as the NLM/EPA
CIS substructure/spectra search will continue to be available until CSNS
is fully functional.
2. Chemical Information Resources Directory
The Chairman reported that final copies of the MITRE report on the
Chemical Information Resources Directory (CIRD) have been received.
Volume I of the report delineates guidelines for developing an
Information Resource Directory; Volume II is an indexed directory of
some 54 chemical information resources.
In conjunction with the CIRD Dr. Kissman also reported on NLM's
discussions with the Library of Congress (LC) National Referral
Center (NRC) concerning the reissue of "A Directory of Information
Resources in the U.S.: General Toxicology". The volume was first issued
-------
in 1969. An interagency agreement for this activity had been drafted and
will be submitted to the NRC for comments. The new directory with 'its
1000-1200 indexed information resources could function as "raw material"
for the continuation of work on the CIRD.
Ms. Rita Bergman (CEQ) said that following finalization of the NLM-LC
Interagency Agreement, plans are to draw on the resources identified in
the NRC/LC set to form a subset of resources to be used in the CIRD.
An RFP to allow continuation of the CIRD project is expected to be
finalized at CEQ early in 1980. Tasks will include collection of very
specific information about relevant resources in files.
3. Network Architecture Contract
Dr. Sidney Siegel (EPA), Network Administrator, reported that through the
Preprototype CSIN task, intelligent terminals will be delivered to the
government by February, 1980. At first, delivery will be to EPA and NLM
(possibly); one terminal will be kept at the CCA offices in Boston for
further developmental work.
The CSIN Prototype plan prepared by CCA was reviewed in a technical meeting held
on November 27, 1979. CCA, EPA, CEQ and the CSIN Subcommittee were represented.
Invited outside experts attending were: Dr. Ari Shoshoni, Senior Computer
Scientist, Lawrence Livermore Laboratories, University of California;
Dr. Stanley Su, Professor of Computer Information Science, University of
Florida; Dr. Steve Kimbelton, Manager of Network Development, National
Bureau of Standards (NBS) and his colleague, Dr. Pearl Wong (NBS). In
presenting their detailed concept 'of the CSIN, CCA discussed user requirements
analysis, hardware, software, and requirements and issues concerning commun-
ication and security. The panel of advisors will each consider all the
aspects of the Prototype plan, evaluate the information and give their
reports to the CSIN Subcommittee through its Prototype subgroup. The experts
will then meet with the Subcommittee and CCA to address any further technical
questions. CCA will later present the Prototype plan (revised if necessary)
to the Parent Committee in an open seminar.
Ms. Rita Bergman also reported on CCA progress for October and November, 1979.
Eighty-five individuals in seven organizations have been interviewed under
the Requirements Analysis task. Interviews in the next ten days have been
scheduled with another four agencies. The Preprototype design is complete
and software development is nearly finished. Most functions are now being
tested. The user manual is in draft form. Prototype design continues.
III. Report from the Network Administrator
Dr. Siegel reported that the Information Exchange Group (IEG) of the
Interagency Regulatory Liaison Group (IRLG) is currently considering
its purposes and functions, i.e., should the IEG simply exchange information
among agencies, or should the group, having identified some of the common
-------
information problems and issues, formulate projects to address these common
needs. Further, how would the IEG channel such identified projects to a larger
information activity like CSIN. A draft document describing such activity and
relationship between the IEG and the CSIN Subcommittee is being prepared.
t
IV. Registration of Compounds in the pre-1965 Chemical Abstracts
Ms. Rita Bergman (CEQ) reported on the status of the CAS feasibility study
contract on registration by CAS of compounds only indexed in the pre-1965
Chemical Abstracts (CA). Ways of dividing the pre-1965 volumes into appro-
priate segments are being examined (e.g. five-year segment divisions or
division based on changes in CA indexing policies). Sample pages of
the CA indexes are being keyboarded and Optical Character Recognition
equipment is being used to obtain data on the computer input costs.
V. Use of the CAS Registry Numbers in Agency Files
Dr. Kissman distributed the revised draft of the Memorandum of
Understanding prepared by Dr. Bernard Greifer, DOC. This paper
proposes the establishment of the CAS Registry Numbers as a Federal
Information Processing Standard (FIPS) by the NBS; this would allow (inter
alia) reimbursement to the agencies for the cost of linking CAS Registry
Numbers to the compound information in their files. Work continues to
establish the CAS Registry Number as a FIPS, agencies could continue
using it on the current de facto basis. Final recommendations for the
Memorandum of Understanding will be presented to the ITSDC at its
February 5, 1979 meeting.
VI. Peer Review of CSIN Activities
Dr. Kissman reported on discussions with representatives of the National
Academy of Sciences (NAS) Board on Toxicology and Environmental Health
Hazards (BOTEHH) to establish an advisory group to CSIN as suggested on
several occasions by members pf the Parent Committee and the Subcommittee.
The approach discussed was the formation of a standing advisory group which
would prepare periodic reports on aspects of CSIN development. The group
would need to have expertise in areas such as computer science and
communications as well as toxicology and allied sciences. It would also
need to serve as a surrogate for the scientific (i.e. university and
industrial research) user community that will be served by CSIN.
The BOTEHH staff is preparing a proposal for this advisory activity.
Experts from three areas of the NAS would be asked to take part; BOTEHH
the Board on Telecommunications and Computer Sciences, and the
Mathematical Sciences group.
Subcommittee members recommended that the NAS proposal when received should
be carefully evaluated to insure that issues of interest are properly addressed.
Members also noted the importance of other kinds of CSIN review via the
-------
Public Liaison Subcommittee of the ITSDC and public input at ITSDC meetings.
Ms. Bastian (CEQ) stressed the importance of representing the needs of
Federal and state groups as well as the needs of the academic and scientific
communities.
VII. Miscellaneous
1. EURONET
Information about technical and administrative issues of this large
distributed data base and communications system, not unlike CSIN will
be discussed by EURONET's chief, Dr. Anderlea in Luxemburg and
Dr. Marilyn Bracken, EPA.
2. CSIN Presentations
Comments and advice on where and to whom presentations about CSIN should be
made are always welcome. Ms. Carroll Bastian (CEQ) will develop a list
identifying appropriate people to be contacted in the Toxic Substances area of
the Office of Management and Budget (OMB) for such a presentation.
The next meeting of the Subcommittee was scheduled for January 17, 1980
from 1:00 p.m. to 4:00 p.m., at the National Library of Medicine. The
Toxicology Information Subcommittee (TIS) will meet that morning at 9:00 a.m.
As there was no further business, the meeting was adjourned at 12:00 noon.
l\
U(
Nan Fremont ^-*L HenrY M« Kissman, Ph.D.
Recording Secretary /^"/^ Chairman
-------
Attendees
Claudia Lewis, CDC
Carroll Leslie Bastian, CEQ
Rita Bergman, CEQ
Leonard Schachter, CPSC
Bernie Scharf, CPSC
John Wilson, DOE
Sidney Siegel, EPA
Winston de Monsabert, FDA
Helga Gerstner, ICC/ORNL
Barbara Jaffee, NAS
L. H. Gevantman, NBS
Kenneth Chu, NCI/NTP
Terri Damstra, NIEHS
George Cosmides, NLM
Paul Craig, NLM/NIEHS
Mike Hazard, NLM
Henry Kissman, NLM
William Rhode, OD/NIH
Pat Breslin, OSHA
Florence Bayard, Information Tech, Inc.
Nan Fremont, Recording Secretary
-------
MEMORANDUM
DEPARTMENT OF HEALTH, EDUCATION, AND WELFARE
PUBLIC HEALTH SERVICE
NATIONAL INSTITUTES OF HEALTH
NATIONAL LIBRARY Of MEDICINE
TO : Members, Toxicology Information Subcommittee
of the DREW Committee to Coordinate
Environmental and Related Programs
DATE: August 8, 1979
FROM : Chairman,.Toxicology Information Subcommittee
SUBJECT:
1) Minutes of the June 28, 1979, Meeting
2) "Agenda Items for the August 23, 1979, Meeting
Enclosed a-r;e .the minutes for the Toxicp.lo.gy Information. Subxonraittee
meeting of June 28,' 1979.
The next meeting of the Subcommittee has been scheduled for Thursday,
August 23, .1979, from 9:00 a.m.-12:00 Noon, in Conference Room B, -
National Library of Medicine. The following items are proposed for the
agenda:
I. The National Referral Center, Library of
Congress"" John F. Price and Staffan Rosenberg
II. Environmental Mutagen Information Center (EMIC)
and the Environmental Teratology Information
Center (ETIC) John S. Wassom
III. Report from Other Interagency Committees
IV. Subcommittee Projects
A. Information Response to Chemical Crises Project
B. Laboratory Animal Data Bank
C. Chemical Monograph Referral Center
D. Toxicology Research Projects Directory and TOX-TIPS
E. Toxicology Data and Document Depository
V. Other Business
The CSIN Subcommittee will meet in the afternoon of August 23, 1979,
between 1:00 and 4:00 p.m. You will find enclosed a set of the slides
Dr. Sidney Siege! (EPA) used with his presentationjanjthe "Chemical
Substances Information Network at the May 16, 1979, meeting of the
Toxicology Information Subcotnmittee.
(more)
-------
Members, TIS 2
There will be a meeting of the LADB Task Group following the Toxicology
Information Subcommittee meeting on August 23, 1979, in the Billings
Auditorium, National Library of Medicine, from 1:00-3:00 p.m. Dr. Warren
G. Hoag has' notified Task Group members and will provide the agenda.
Henry M. Kissman, Ph.D.
L/
2 Enclosures-
cc: Dr. David P. Rail, NIH-NIEHS
Dr. Raymond E. Shapiro, NIH-NIEHS
Mr. Kent A. Smith, NIH-NLM
Mr. John S. Wassom, ORNL
Mr. John F. Price, LC-NRC (w/o ends.)
Mr. Staffan Rosenberg, LC-NRC " " "
Dr. Sidney Sie.gel, EPA
-------
Minutes of the Toxicology Information Subcommittee of-the DHEW
Committee to Coordinate Environmental and Related Programs
June 28, 1979
I. Introduction
The meeting was held at the National Library of Medicine (NLM), at
*9:r02. A.M. Dr. Kissman introduced Dr. Mark Fow (FDA),
Dr. R. E. Maizell (01 in-Mattheson Corporation), and Dr. Harold
Wooster (NLM).
Minutes of the .meeting of May 17, 1979 stood.
II. Information Activities of the National Clearinghouse for Poison
Control Centers
Dr. Mark Fow reported that the National Clearinghouse for Poison
Control "tenters which was started in 1957, has been a source of
information for approximately 600 Poison Control Centers through-
out the country. It provides information concerning the treat-
ment of acute poison emergencies and the probable toxicity of
commercial chemical products.
Product composition is requested from manufacturers—either speci-
fic ingredients or generic classes of ingredients. From this
information, the toxicity of the ingredients is estimated; these
toxicity estimates are then disseminated to the poison control
centers. Information on about 10,000 products is currently avail-
able in a computerized system at the CPSC. A hard copy file,
which goes back 20 years, contains information on 25,000 to 50,000
compounds.
Lack of specific information from manufacturers and batch-to-batch
variations of the chemical composition of the same product contri-
bute to problems in assigning CAS Registry Numbers.
Another phase of the Clearinghouse information program is the Data
Report-ing System. Herein, case histories are collected and tabu-
lated. This compilation, going back to 1971, includes specific
signs and symptoms of product ingestion. The case history files
provide information on the epidemiology of poisons, as well as
treatment methodology.
III. Second Symposium on the Handling of Toxicological Information
In proposing a second symposium, Dr. Kissman presented a schematic
of a toxicology retrieval system using eight levels of information
-------
handling. They are (1) planning, (2) gathering of data, (3.)
transfer of data to a file, (4) a primary information channel, (5)
secondary information systems, (6) tertiary information channels,
(7) a level of aggregation of storage and retrieval, and (8) the
user. He asked that the Subcommittee consider structuring the
symposium according to these eight levels.
There was discussion regarding potential objectives of the
conference, e.g., presenting state-of-the-art information
activities in toxicology versus user education. The importance of
' identifying the user (scientist or information person) was also
discussed.
Dr. Siege! (EPA) emphasized the desirability of outlining govern-
ment agencies' information act-ivities and how they interface with
each other to increase the efficiency of information gathering.
Dr. Kissman received the Committee's* agreement to arrange a joint
TIS-CSJN Committee or task group to proceed with the symposium
planning.
IV. Report from Other Interagency Committees
Dr. Patricia Breslin (OSHA) reported on recent activities of the
Information Section of the Interagency Regulatory Liaison Group
(IRLG). Noting the wealth of existing files on toxic substance
law, Dr. Breslin said that the IRLG is presently working to
formulate an efficient procedure for the coordination and utili-
zation of various files, rather than designing and implementing a
new data base on legislative toxicology information.
V. Subcommittee Projects
1. The Laboratory Animal Data Bank (LADB)
Dr. Warren Hoag (NCI/NLM) reported on the recent LADB acti-
vities including the modification of the Federation of Ameri-
can Societies of Experimental Biology (FASEB) contract to
include monthly data evaluation and editorial review by a new
Data Acceptance Group. Dr. Hoag discussed the importance of
data validation and description to obtain a common language
acceptable to the scientific community.
2. The Chemical Monograph Referral Center (CHEMRiC)
Mr. Mark Sutherland (CPSC) reported that approximately half
the CHEMRiC records have been transferred to the CPSC Computer
system, STAIRS, emphasized that all of the records (including
those not yet transferred to STAIRS) are available for search-
ing.
The Subcomittee discussed methods to insure the reporting of
new technical documents to CHEMRiC by the government agencies.
-------
3. Toxicology Document and Data Depository (TD3)
Ms. Florence Bayard (NLM) described a profile that will be
matched against the monthly NTIS data input tape to generate
toxicology-related documents; these documents will be avail-
able for searching in TOXLINE. Specifications are being
written for a program that will allow NLM's ELHILL system to
accommodate NTIS' TD3 data in TOXLINE. She reported that the
results of the most recent draft search profile look pro-
mising. The TD3 Task Force will be developing acquisition
policy guidelines for the Depository.
There was a discussion concerning possible publication of a
report on the refined profile and data mapping jDrocedure.
4. Toxicology Research Projects Directory (TRPD) and TOX-TIPS
Ms. Carol Haberman (NLM) reported that NTIS has distributed
publicity packets on'TOX-TIPS* and the Toxicology Research
Projects Directory (TRPD).The index for the June issue of
fcTOX-TIPS has a new format. Subscriptions to the TRPD will
cost $65, as of January, 1980.
The need for input to TOX-TIPS from government agencies, as
well as from industry was emphasized.
In explaining the scope of TOX-TIPS, Ms. Haberman described
problems in obtaining reports of the initiation of testing
and epidemic!ogic studies to determine toxicity from indus-
trial, governmental and academic organizations. Because the
emphasis of the program is to provide a mechanism for avoiding
inadvertent duplication of research effort, publication pre-
ference is given to long-term studies, although other-projects
are also reported. Here, Dr. Kissman reported efforts to link
this project with- the IARC survey.
5. Information Response to Chemical Crises (IRCC)
Dr. Terri Damstra (NIEHS) reported that the most recent mock
crisis search topic was the effect of environmental chemicals
on the immune system; a follow-up search on this topic will
also be conducted. Two non-crisis searches in progress are
(1) asbestos in the'air and (2) the effects of acid rainfall.
The next mock crisis topic will be sensitivity to urea-
formaldehyde foams.
Dr. Kissman presented Dr. Gary Keilson of the National Academy of
Sciences (NAS) who is also involved with toxicological crises
response.
Dr. Keilson reported that the NAS Committee on Toxicology was
formed in response to requests for toxicological advice from the
military and the Atomic Energy Commission (AEC). Other sponsors
include the NASA, the CPSC, the OSHA's, Office of Drinking Water,
the EPA's Office of Research and Development and the DOE.
-------
The Committee generally advises sponsors of safe exposure limits
of a given chemical within 4-6 months. However, the need to
respond to crisis situations arose and an Emergency Response Group
was formed. The Group uses the Committee's library which contains
an index card catalog organized basically by chemical, but which
is also indexed by general biological categories, e.g., effects oh
the peripheral nervous system, as well as by LD50 and LC50 values
and NIOSH and OSHA exposure limits. The library has journals and
reprints on file as well.
The Emergency Response Group usually responds to requests verbally
within 24-48 hours. Generally, limits on short term exposure are
provided, but depending on the compounds involved, information
concerning chronic effects may also be provided. A written report
usually follows, in 30 days. Benefits of some coordination of
efforts between NAS and the IRCC were discussed.
VI. Other Business
Dr. Kissman distributed a document prepared by Dr. Philip Schambra
(NIEHS^.
The document, "Review of Current DHEU Research Related to
Toxicology" contains two tables of particular interest. The first
is a list .of chemicals under investigation by DHEW. Dr. Kissman
noted that an expansion of the table in order to reflect other
agency investigations, would be useful. The second table
organizes the chemicals by the types of test. Likewise, expansion
of this table to include agencies would increase insight into
current government chemical investigation activities.
Referring to a letter from Ms. Claudia Lewis (CDC),
Dr. Kissman discussed, the need to update the Toxicology
Information Resource Directory. Ms. Lewis suggested using
looseleaf additions to update this directory. Dr. Siegel brought
up the possibility of including a resource directory in CSIN. It
would be a logical addition to the Chemical Information Resource
Directory, which will perform a locator function for CSIN.
Dr. Siegel invited TIS members to the July 10th Interagency Toxic
Substances Data Committee meeting, at 9:00 a.m., 722 Jackson
Place, the CEQ Library.
The next TIS meeting was -scheduled for August 23, 1979, at 9:00
A.M. at the National Library of Medicine.
As there was no further business, Dr. Kissman adjourned the
meeting at 11:52 a.m.
Nan Fremont
Recording Secretary
-------
Members Present
Ms. Dorothy Drago, CPSC
Mr. Mark Sutherland (CPSC)
Mr. Lester Miller, Dept. of the Army
Mr. John Wilson, ERDA
Ms. Anne McCann, FDA
Ms. Helga Gerstner, ICC/ORNL
Dr. Ken Chu, NCI
Dr. Charles Litterst, NCI
Dr. Terri Damstra, NIEHS
Mr. Leonard Bahlrnan, NIOSH
Dr. George Cosmi'des, NLM
Dr. Henry Kissman, NLM
Ms. Eloise Collins, NTIS
Dr. Patricia Breslin, OSHA
Invited Guests and Observers
Mr. Bernie Scharf, CPSC
Mr. Roger Connor, EPA
Dr. Sidney Siege!, EPA
Ms. Lois Ann Beaver, FDA
Dr. Mark Fow, FDA
Ms. Ann Louis Schick, FDA
Dr. Gary Keilson, NAS
Ms, Florence Bayard, NLM
Ms. Carol Haberman, NLM
Dr. Warren Hoag, NCI/NLM
Mr. Harold Wooster, NLM
Dr. R. E. Maizell, OLIN
Ms. Nan Fremont, Recording Secretary
-------
A Recommendation for CSIN:
The Chemical Substances
Information Network
-------
CSIN Concept
Definition
• A network of coordinated online information systems
concerning chemical substances
Purpose
• Satisfy information requirements of toxic substances
legislation and a broad spectrum of related activities
Information Content
• Provides access to information on
• Nomenclature and Composition
• Properties
• Production and Commerce
• Products and Uses
• Exposure
• Effects
• Studies and Research
• Regulations and Controls
of Chemical Substances
-------
Information
Product
CHEMICAL
HAZARD
INFORMATION
PROFILE
IDENTIFICATION
&
STRUCTURE
PROPERTIES
EXPOSURE
BIOLOGICAL
EFFECTS
X
\
Online N
Information O
Systems CSNS
Sources
HUMAN
HEALTH
HAZARDS
l
C±>
HEEDA
^
O O O O O
MEDLARS DIALOG ORBIT CHEMTRAX cicis
Typical Information Product Involves Multi-System Access
-------
Multi-System Searches
Common
Required for Essential Information Products
Substantial Professional Effort
Occur Under Time Pressure
Repetition via Related Chemicals
Repetition via Related Systems
Often Sub-Optimal in Selectivity, Exhaustiveness
Will Increase in Frequency
Will Increase in Scale
-------
Chemical Hazard Identification
Q1
3
CSNS
Q2
CSIN
Processor
d
Q3
MEDLARS
d
Q7
Q4
Q5
Q6
b
b
b
CICIS
CHEMTRAX
ORBIT II HEEDA
DIALOG
With CSIN
User Enters a Single Query
-------
Capabilities Desired in CSIN
Uniform Query Interface
Multi-System Query Procedures
Intersystem Transfer of Query Results
Uniform Data Interface
Integrated Data Description
Information Resource Directory
-------
Prototype Program Objectives
• To satisfy selected near-term requirements for multi-system
access to data
» To clarify long-term functional CSIN requirements through
user experience with prototype CSIN facilities
• To assure early identification of
— inter-system interface problems, and
— data integration problems
through early exercise of selected inter-system relationships
• To develop superior user interface design through user
experience with prototype interfaces
• To obtain basic cost and performance data for long range
design and implementation planning
-------
Prototype Program Concept
• Use Existing Public Communications Network
• Include Only Selected Component Systems
• First Augment Direct Component Use
• Automate Highest Priority Multi-System Searches
• Provide Search Automation Facilities
• Develop Integrated Data Description for Selected Data
• Provide Uniform Query Language for Selected Data
• Prototype Information Resources Directory
-------
Intelligent Terminal
Question: List References to Toxic Effects on Fish and Wildlife
for Chemicals Containing a Given Structure.
Medlars
Query Generation is Partially Automated
Data Retrieved From One System can be Transferred
Automatically to Others
-------
Prototype Version I
Query Scripts
Question: List Trade Names and Manufacturers and Production Values
for Manufacturers of PVCs.
QUERY
PROCESSOR
USE CHIP SCRIPT
?
SCRIPT
LIBRARY
User Invokes Script by Name and Responds to Prompts
Entire Script of Multi-System Search is Pre-Stored
Typically All Subqueries are Automatically Generated
Data From one System can be Transferred to Another
While Process is Automatic, User Must Typically Monitor, Know Components,
be Prepared to Handle Exceptions
-------
Prototype Version 2
Uniform Query Language
QUERY
PROCESSOR
FIND SUBSTANCES, S, WHERE.
PRINT MANUFACTURER
WHERE PRODUCT = S
CSNS^ ICICIS
1) User Writes Simple Commands in Common Language
System Locates Data and Generates Subqueries
[Not Pictured] Scripts are now More Powerful and Automatic
-------
Uniform Query Language
User Oriented Interface
Clear Simple Presentation of Data to User
Logically Integrated Description of Data From Multiple
Systems
— Uniform Data Representation
— Consistent Data Naming
— Uniform Data Structuring
Content-Based Data Selection
Limited Data Domain
-------
Scale of Feasible
Prototype CSIN Operations
NUMBER OF COMPONENTS
LEVEL LEVEL LEVEL
123
Pre-Prototype Phase 2-5
Prototype Phase I 4-7 2-5
Prototype Phase II 6-12 4-7 2-5
Definition of Levels:
1. Communication Support
2. Query Procedure Support
3. End User Query Language Support
-------
CSIN Security Scheme
PUBLIC
NETWORK
SUBQUERIES
DATA
USER
QUERY
PUBLIC
SUB
QUERY
CONF
SUB
QUERY
CONFIDENTIAL
NETWORK
-------
Public CSIN
Prototype Configuration
GENERAL
CSIN QUERY
PROCESSOR
PUBLIC PACKET
SWITCHED NETWORK
CSNS
MEDLARS
ORBIT*
DIALOG*
* Provisional Choice of Components; Other Early Candidates Include Public CICIS,
CHEMTRAX, TDMS, HEEDA, CRGS and Others.
-------
DATA
SUB-QUERIES ,
Confidential CSIN
Prototype Configuration
LOCAL TERMINALS
G
U
A
R
D
CONFIDENTIAL
CSIN QUERY
PROCESSOR
CONFIDENTIAL
CICIS
CONFIDENTIAL
TDMS
All Processors and Terminals are in Secure Areas
-------
Design Principles
for
CSIN Prototype Configuration
1. Small, Dedicated CSIN Query Processors Will:
—Allow Convenient and Economical Scaling
— Physically Separate Confidential and Public Access
—Simplify Operations and Development
—Allow Choice of CSIN Processor to Be Based on
Query Processing Requirements Alone
2. Confidential Subnetwork Allows:
—Shared Use of Public Data
—Good Protection of Confidential Data
—Joint Use of Public and Confidential Data Within
Confidential Subnetwork
3. Multi-Level Component Support Adds Flexibility
-------
CSIN PROTOTYPE
PROJECT PLAN
CSIN PROTOTYPE PROJECT PLAN
FY7
INTELLIGENT
TERMINAL
PROTOTYPE
VERSION 1
PROTOTYPE
VERSION 2
MILESTONES
rf) ^ ^ r-\/of\
ASONDJFMAMJJA
DESIGN & IMPLEMENTATION
OPERATIONS
^- -—
S O N D
"
DESIGN , IMPLEMENTATION ,
SUPPORT, TRAINING,
DESIGN
r~vfM w
1 TOI ^
JFMAMJ J AS
OPERATIONS ,
, IMPLEMENTATION ,
DATA COLLECTION, DOCUMENTATION
INTELLIGENT PROTOTYPE PROTOTYPE
TERMINALS VERSION 1 VERSION 2
A i AH A A A
12/80 3/80 PUBLIC CONFIDENTIAL 10/81
10/80 12/80
-------
Benefits of CSIN
Increased Productivity of Professional Staff
— Less Effort to Locate and Retrieve Data
— Routine Searches Handled by Sub-Professional Personnel
— Reduced Training Requirements
Higher Product Quality
— At Each Stage of Evaluation, Better Information
— Standardization of Routine Operations Through Scripts
Responsiveness
— More Rapid Retrieval of Information in Crises
— More Adaptable Information Resources for Changes in Requirements
•
Effective Interagency Data Sharing
-------
Benefits of Prototype Approach
Significant utility in the retrieval of information online from a
growing set of key component systems
Automation of routinized queries with consequent standardization
of operations and saving of professional time
Online query for the casual user on selected data from key
component systems
Start of selective global integration of the CSIN database
Early revelation of hidden multi-system inter-system
problems through actual implementation and use
Extension, validation, and clarification of long-term CSIN
requirements
Progress toward implementation of a full scale CSIN system
------- |