CompTox Chemistry Administration Dashboard
Table of Contents
Administration Home Page: 2
User Feedback: 3
Chemical Comments: 3
Site Feedback: 6
Site Preferences: 7
Category Terms: 7
Download Links: 11
External Links: 14
Link Parameters: 18
Help Text Table: 21
Manage Lists: 24
Property Data: 28
Update Site News: 31
Upload Images: 34
Account Preferences: 37
Edit Account Info: 37
Logout: 37
Page 1 of 37
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Administration Home Page:
This is the Comptox Chemistry Dashboard administration "Home" page. This page provides links to all the available
administrative tasks.
1 United States
Environmental Protection Home
1* * 1—1 # « Agency
Advanced Search Lists
emisBy Dashboard
Chemistry Dashboard
Manage Site Settings
User Feedback
• Chemical Comments
• Site Feedback
Site Preferences
• Category Terms
• Download Links
• External Links
• Link Parameters
• Help Text Table
• Manage Lists
• Property Data
• Update Site News
¦ Uploaded Images
Account Preferences
• Edit Account Info
• Logout
At any time in any page an administrator can select the "Options" drop down button in the upper right hand corner, (see
red circle below) This provides options to return to this administration home page or allow a user to select any
administration task page they require.
*
K United States
Environmental Protection Home
pr^l Agency
Advanced Search Lists
Chemistry Dashboard
Hi
»• ! M Aa-
Admin Dashboard
Manage Site Settings
User Feedback
• Chemical Comments
• Site Feedback
Site Preferences
• Category Terms
• Download Unks
• External Links
• Unk Parameters
• Help Text Table
• Manage Lists
• Property Data
• update Site News
• Uploaded Images
Account Preferences
• EdII Account Info
• Logout
Chemical Comments
Site Feedback
Category Terms
Download Links
External Links
Link Parameters
Help Text Table
Manage Lists
Property Data
Update Site News
Uploaded Images
Edit Account Info
Logout
r
Page 2 of 37
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User Feedback:
Chemical Comments:
The chemical comments page is a report like page that shows a user entry for a suggested chemical that needs moderation. It
shows the chemical in question, date the entry was created, email address of the user, the user comment, if an administrator
has responded (Yes or No), and if the comment is visible (Yes or No). There is a search text box in the upper right corner,
above the email reply button, that will allow an administrator to search on specific words. The chemical (highlighted in
blue) can be selected and it will take the administrator directly to the chemical in question in the Comptox dashboard, in
another browser tab. The show entries in the upper left hand side can be change to display either 25, 50, 75, or 100
entries on a page. The bottom right hand corner will show the number of pages and allows an administrator to go to the
next page or skip to a desired page. There are also buttons that allow for additional functions.
rr*A United Stales
Environmental Protection Horn
^#L-I Agency
Advanced Search
UStS
Q. Options -
Chemistry Dashboard
As~ Aa Aa -
Comments
Show 25 vj
Chemical
entries
Date Created T
Email
Comment Admin Res...
Visible
Search:
Thallium
2017-01-20
Williams.antony
This is thallium hydride! No
Y»
Email Reply
2017-01-19
wilHams.antony.
This is 4- or 5-aminoacridine. 1 -amln... No
Y«
1^3
Email Reply
~
Perchlorate
2017-01-10
paul-friedman....
I was wondering if under the Bioass.. Yes
E
liBJ
Email Reply
AscorOic acid
2017-01-02
wilHams.antony..
The Wikipedia Page is not mapped t... Yes
YM
Email Reply
2017-01-01
Smith.jennifer...
NO ^
151
Email Reply
Sucraiose
2016-12-02
srcorsi@usgs..
Hi Great service you have put togel.. Yes
Y«
Email Reply
Napnazodns
2016-11-30
ctinstan.brinch...
Wrong structure, you are linking to... Yes
IKsa
Email Reply
Aspirin
2016-11-25
edwards.jeff@
remove the Christmas wish list on as. No
No
Email Reply
Se-{8-Azidoafl
2016-11-17
SMILES: FAIL Yes
"*
ICT
Email Reply
Perfluorovaleri..
2016-11-16
Newton.Seth@
Common synonym is "Perfluoropent... Yes
™
B53I
Email Reply
MeltiylparaBen
2016-10-26
ulrich.elin@ep. ..
I Just downloaded the CSV for Expos... Yes
Y»
Email Reply
2016-10-26
wilHams.antony..
SOme of the synonyms need cleam Yes
Y«
IS
Email Reply
Niiutamide
2016-10-25
mciane.joshua.
Chemical properties lists water soluo... Yes
——
71 °
Email Reply
The edit button displays a page that allows an administrator to reply to the users comment.
Page 3 of 37
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The visible check box allows for the response to be visible on the page to other users. The back button will return to the
Comments home page. The Update Comment will post any response to the web page.
Reply to User Comment
User comment
This is thallium hydride!
Response
Type your feedback here,..
Visible
0
Back Update Comment
Details
The details button shows a page that displays all the specific detailed information for this
comment.
Comment Details
Comment For: Thallium (CID: 24830)
Comment Date: 2017-01-20
User Email:
User Comment: This is thallium hydride!
Admin Reply: No one has replied to this comment yet
Back
Page 4 of 37
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The email reply button will automatically launch outlook email message. The "To" will
automatically be populated with the user's email address and the subject line will automatically be populated "Reply to iCSS
Chemistry Dashboard Comment".
B
File Insert Options Format Text Review
Reply to iCSS Chemistry Dashboard Comment - Message (HTML)
J Tell me what you want to do
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X
V Format Painter
Clipboard rs
|Calibri (Boi -|ll -| A* A* ' \~ ' ^
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Address Check
Book Names
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Attach Attach Signature
File - Item *
Include
Follow Up *
! High Importance
4< Low Importance
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Office
Add-ins
Add-ins
Send
| To,., j | iohn.smith@eDa.aov
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Subject Reply to iCSS Chemistiy Dashboard Comment
~
Page 5 of 37
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Site Feedback:
The site feedback page is a report listing of customer feedback to the CompTox Dashboard. This page shows Support #,
date sent, email address, subject line and message. The Support number is a hyperlink (highlighted in blue) in which an
administer can click to get additional details on a specific message. There is a Feedback search text box in the upper
right corner above the message column that will allow an administrator to search on specific words.
1 A rn* United States
lAKnl Environmental Protection Home
IX^L-I Agency
! Advanced Search Lists
1
Options •»
Chemistry Dashboard a.- ^T] 1
Show 25 [v| entries
Support 9
Date Sent
Feedback
Subject
Search:
Message
1729
2017-01-07
akokai@berkeiey.edu
Chemical families in CompTox Che..
Thank you for providing the Chemist...
1728
2016-12-27
jeff@jefferyedwards.com
test
testing
698
2016-12-19
dmlyons2@gmall.com
Data Quality? What does It mean?
I was recently perusing the site and..
695
2016-12-18
ioptrumistrik@yandex.com
buy clomid for men
1x2374 httpWvlagraon top Viagra ca .
696
2016-12-18
iopuajdkui@yandex.com
order ctomifl
ra4001hw3325 [ur!=http://viagraon.t...
697
2016-12-18
jboh@nxzyvx.com
order levitra 37.5
sy7107 lufl=http.7/levitra-ed.top}gen..
694
2016-12-17
k300wors@mall ru
chntove review
police officer who seem to revealed
693
2016-12-16
idate0320@maii,ru
Idateasia Scam
quarterly report Day accolades 2016..
691
2016-12-15
sillsonng2014@gmail.c om
latamdate.com
Ukrainian ambassador frequents All...
692
690
2016-12-15
2016-10-21
k300wors@mall ru
sates8@crecompany.com
Charmlngdate
chemical production CACL2
8 coid temperature cases out of van...
chemical production CACL2 supplier
689
2016-10-05
Oarkmfeer@btinternet.com
Please add florpyrauxifen to the dat...
Would be good to have data for http. ..
688
2016-09-09
pierfelicej@batteile.org
Error In database for Microcystin-LR
The chemical formula and molecular
687
686
353
352
2016-08-23
2016-08-22
2016-08-02
2016-06-28
sheehan.eileen@epa.gov
Susana.DUARTE-LOPES-MASCAR...
amanda.liesen@aftonchemical.com
mklipper@voicesagainstbraincancer
Curatlon of iCSS. Graphic of differe..
Henry's constant missing
603-35-0 units
Human tested compounds that are .
Hi. irs exciting to see the new iCSS...
Hil I am currently working on a proje..
Good afternoon. I was trying to find...
To Whom It May Concern: Is there a..
Feedback Details: The feedback details page displays feedback date, sender's email, sender's subject, and sender's
message.
Feedback Details
Feedback Date: 2017-01-07
Sender's Email:
Sender's Subject: Chemical families in CompTox Chemistry Dashboard
Sender's Message: Thank you for providing the Chemistry Dashboard, a fantastic resource that I hope you continue to develop. I have some questions about the new support for chemical families (e.g. PCBs). - Is it
possible to download a list of chemical families in the Chemistry Dashboard and also the individual compounds belong to each? - How did you put these families together? I notice that the PCB record says "manually
curated"; are there any algorithmic ally curated ones?
Back
The back button returns to the site feedback page.
Page 6 of 37
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Site Preferences:
Category Terms:
Category terms is a page that has four tabs that will allow administrators to customize drop down lists and input types at
any time. There is a search text box for category terms in the upper right corner that will allow an administrator to
search on specific words.
A rnA United Slates
Environmental Protection Home Advanced Search Lists
Agency
Chemistry Dashboard
Category Terms
Abstract Sitter Batch Search External Links Google Scholar
New Category
Show 25 0 entries
Label Parent * F
tank Content
Smh:
Hazard - 1
(NOAEL or LOEL or Rfd OR "reference concentration" OR "adverse effect level"[tiab] OR "cancer slope fac... Q
UD
Fate and Transport - 2
(degradation OR bioaccumulation OR sunlight OR bacteria OR breakdown OR transportttiab])
~
Metabolism/PK/PD - 3
(metabolism OR metabolite or "tissue distribution"[tiab])
~
Chemical Properties - 4
(logp OR solubility OR equilibrium OR solute or "partitition coefficient"[tiab] OR hydrophob OR hydrophil)
~
Exposure - 5
(exposure OR near-field OR far-field OR SHEDS[tiab] AND ENVIRONMENTAL MONITORING)
B
Mixtures - 6
(Drug synergism(mh] OR cocarcinogenesis OR pesticide synergists(mh] OR mixture[tiab] OR mixtures[bab]... Q
~
Showing 1 to 6 of 6 entries
Previous Next
I
Abstract Sifter - is found under the literature tab under the abstract sifter selection. It is used for specific queries
against Pubmed articles using MeSH based searches and access to PubChem Patents. This panel allows administrators
to add or remove pre-defined queries in the "Select Term" drop down list.
Batch Search - is found under the "Advanced Search" link that allows users to search on multiple chemicals and input
types. This panel allows administrators to add or remove Input Types a user can search on and to place these types in a
specific order.
External Links - is a panel that allows administrators to add, edit, or remove hyperlinks to external sites and order/sort
these links.
Google Scholar - is found under the literature tab under the Google Scholar selection. Users can search for digital or
physical copies of articles, whether online or in libraries. This panel allows administrators to add or remove selections
for the drop down lists for items such as environmental, qualification, and non-targeted analysis search. These are
appended into a search using the CAS Number and Preferred Name.
Page 7 of 37
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The new category button will allow an administrator to create a new category group,
assign a parent and provide a label.
New Category Term
Category group
Select a Category Group v|
Parent
Select a Parent v|
Label
Type the name of the category term as you would like it to appear
Back Create Category
Details
The details button displays a page that administrators can modify the details associated to the
category term properties currently set.
Page 8 of 37
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Category Term
Category Group: Abstract Sifter
Category Term Label: Hazard
Parent; WA
Rank: 1
Content: {NOAEL or LOEL or Rfd OR "reference concentration" OR "adverse effect leveTttiab] OR "cancer slope factor"[tiab])
Admin:
Date Created: September 27, 2016
Date Updated: September 27, 2016
Back
The edit button displays a page that allows the administer to modify the properties of the category
term for category group, parent, label, content, and rank.
Edit Category Term
Category group
Abstract Sifter
0
Parent
None
0
Hazard
Content
(NOAEL or LOEL or Rfd OR "reference concentration" OR "adverse effect levelltiab] OR "cancer slope factor"[tiab])
Rank
1
Back Update Category
Page 9 of 37
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The delete button removes the download link from the page so that this link is no longer visible
or available to the user.
Message from webpage
•mfM- Are you sure you want to delete the Hazard catergory term?
OK
Cancel
Page 10 of 37
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Download Links;
Download link is found in the footer of the dashboard. This page displays links and descriptions that allows the EPA to
distribute data as downloadable files. This panel allows administrators to add, remove, and edit these downloadable items.
1 Li'-.iied States
imnmontal Protection Home Advanced Search Lists
Chemistry Dashboard
... ^
Download Links
New Download Link
««¦» *0
» Label
URL
Description
Admin Name
DSSTox MS Ready Chemical Structures
DSSTox MS Ready Mapping File
ftp://newitp.e!
ja.gov/COMPTOX/Sustainabi...
The CompTox Chemistry Dashboard can...
Jennifer Smith
a
Dsstox_CAS_number_name.xlsx
DSSTox identifiers mapped to CAS Numb..
BpJ/newftp.ei
ia.gov/COMPTOX/SustalnaW...
The DSSTox Identifiers tile is in Excel form..
Jennifer Smith
a
DSST ox_Mappa.gov/COMPTOX/Sustainabl...
This zip file contains the entire chemical st. ..
Jennifer Smith
a
DSSTox_Synonyms_20161018.zip
DSSTox Synonyms File
ftp://newftp.ej
>a.gov/COMPTOX/Sustainabl...
The DSSTox synonyms file is in SDF form..
Jennifer Smith
a
PHYSPROP_Analysis
PHYSPROP Analysis File
ttp7/newftp.e[
>a.gov/COMPTOX/Sustainabl. .
The data associated with the publication «...
Jennifer Smith
m Q E
a
PubChem_DTXSID_mapping_file.txt
DSSTox Identifier to PubChem Identifier M
ftp://newttp.ei
>a.gov/COMPTOX/Sustainaoi
The DSSTox to PubChem Identifiers mapp.
Jennifer Smith
a
— ¦
New Download Link
The new download link button will display a page that allows administrators to create
a new download link.
Page 11 of 37
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New Download Link
Name
A more detailed name for internal use
Label
Name displayed to users
Url
The URL must start with: ftp://newftp.epa.gov/COMPTOX/Sustainable_Chemistry_Data/Chemistry_Dashboard/
ftp://newftp.epa.gov/COMPTOX/Sustainable_Chemistry_Data/Chemistry_Dashboard/...
Description
Descnption shown to users
Back Create Download link
Show
The show button will display a page that shows the administrator specific details associated to
the download link properties currently set. In order to return to the download links home page, click the show all button. The
show all button is similar to a back button.
News Item
Name: DSSTox MS Ready Chemical Structures
~
Label: DSSTox MS Ready Mapping File
Url: ftp://newftp.epa.gov/COMPTOX/Sustainable_Chemistry_Data/Chemistry_D3shboard/DSSTOX_MS_Ready_Chemical_Structures.zip
Description: The CompTox Chemistry Dashboard can be used by mass spectrometrists for the purpose of structure identification. A normal formula search would search the exact formula associated with any chemical, whether it include solvents of hydration, salts or multiple components.
However, mass spectrometry detects ionized chemical structures and molecular formulae searches should be based on desalted, and desolvated structures with stereochemistry removed. We refer to these as JMS ready structures" and the MS-ready mappings are delivered as Excel
Spreadsheets containing the Preferred Name, CAS-RN. DTXSID, Formula, Formula of the MS-ready structure and associated masses, SMILES and InChl Strings/Keys.
Preferred Name CAS-RN DSSTox Substance ID
Formula Formula (Desalted)
Monoisotopic Mass
Monoisotopic Mass (Desalted) N
48
Pheniramine maleate 132-20-7 DTXSID0025866
C20H24N2O4 C16H20N2
356.1736073
240.1626487
49
Phenolphthalein glucuronide, sodium salt 6820-54-8 DTXSID9025871
C26H21NaO10 C26H22O10
516.1032412
494.1212969
Admin: Jennifer Smith
Edit Show All
Page 12 of 37
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The edit button displays a page that allows the administer to modify the download link's name,
label, URL and description.
Edit Download Link
Name
DSSTox MS Ready Chemical Structures
Label
DSSTox MS Ready Mapping Rle
Uri
The URL must start with: ftp://newftp.epa.gov/COMPTOX/Sustainable_Chemistry_Data/Chemistry_Dashboard/
ftp://newftp.epa.gov/COMPTOX/Sustainable_Chemistry_Data/Chemistr/_Dashboard/DSSTOX_MS_Ready_Chemical_Structures.zip
Description
The CompTox Chemistry Dashboard can be used by mass spectrometrists for the purpose of structure identification. A normal
formula search would search the exact formula associated with any chemical, whether it include solvents of hydration, salts or
multiple components. However, mass spectrometry detects ionized chemical structures and molecular formulae searches should be
based on desalted, and desolvated structures with stereochemistry removed. We refer to these as *MS ready structures" and the MS-
Back Update Download link
The delete button removes the download link from the page so that this link is no longer visible or
available to the user.
Message from webpage
Page 13 of 37
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External Links:
External links is an administration page the will initially display a listing of all external links currently configured and available
to the user. This page allows administrators to create a new link, view, edit and delete existing hyperlinks found under the
external link tab on the dashboard.
I | J United Slates
Environmental Protection Home
^1 # % Aysnr-v
Advanced Search Lists
1— 1
Chemistry Dashboard
Aa Aa -
Show 25 [vj entries
Name
* URL
External Links
Parameter
Category
Search:
2D NMR HSQC/HMBC Prediction
http:/ftw/w.nmrdb.org/servicephp?name=hmbc-prediction&smiles=%s
smiles
Prediction
'
ACToR
http://actor.epa.gov/ac tor/chemicalxhtml?casm=%s
casm
Toxicology
ACToR PDF Report
BioCaddie DataMed
https://actorws.epa.gov/actorws/actor/2015q3/c hemic alPdfExport.pdf?casrn=%s
https://datamed.org/search php?query=%s&searchtype=data
preferred_name
Toxicology
Publications
s ~
Q
Carbon-13 NMR Prediction
Http:'/wvAv. nmrdb.org/service php?name=nmr-l3c-predictlonSsmiles=%s
smiles
Prediction
EBB El
tss
CCRIS
httpsJ/to*net.nlm.nih.gov/cgi-bin/sis/search2/r?dOs-'Ccns:@term*@m**@rel*%s
casm
Toxicology
iesi ej
IEZ3
ChEMBL
hltpsJ/www.ebiac.uk/chemBI/compound/inspect/%s
chemWJd
Genera!
E^fl E3
BBS
ChemHat: Hazards and Alternatives Toolbox
http://chemhat.org/erVctiemicat-finder/%s
casm
Ge™™1
es a
Chemical Entities of Biological Interest (ChEBI)
https://www.ebi.ac. uk/chebifsearchld.do;?chebild=CHE8l:%s
chebijd
Sen™.
Chemical Vendors
ChemRTP Predictor
http://www.chemicalbooK.com/3earch_EN.aspx?keyword=%s
http://realtimemolinstirtcts.com/chemical-info.ce'JlD=%s
inchi_key
General
Prediction
5 Q
Chemspider
http://wv/w'.chemspider.com/Chem»cal-Structure.%shtml
chemspiderjd
Genera!
The add a new link button displays a page that allows administrators to enter
information to create a new external link.
Page 14 of 37
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New External Link
Name
Type the name of the link as you would like it to appear
Please replace chemical identifier in the url with '%s\ Example: '.. search?cas=50-00-0'
would be \..search?cas=%s'
Url
Type the url for the link
Parameter
Select a Parameter
0
Do you need a parameter not on the list? Add a new Parameter
Category
General
0
Icon
Select an Icon
0
Do you need to upload a new icon? Add a new Icon
Description
Add a description of the site, service, or data for this link
Back Create External link
The details button displays a page that administrators can view the specific details associated to
the hyperlink properties currently set.
Page 15 of 37
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Link Description
Link Name: 2D NMR HSQC/HMBC Prediction
URL: http://www.n mrdb.org/service.ph p?name=hmbc-prediction&SFriiles=%s
Parameter: smiles
Category: Prediction
Icon: •
Description: 2D NMR predictions provided by NMRShiftDB.org
Preview of Link: • 2D NMR HSQC/HMBC Prediction
Back
The edit button displays a page that allows the administer to modify the hyperlink's name, URL,
parameter, category, icon, upload a new icon, and description.
Page 16 of 37
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Edit Link
Name
2D NMR HSQC/HMBC Prediction
Please replace chemical identifier in the url with '%s' Example:search?cas=50-00-0'
would be"...search?cas=%s'
Url
http://www.nmrdb.org/service.php?name=hmbc-prediction&smiles=%s
Parameter
SMILES
0
Do you need a parameter not on the list? Add a new Parameter
Category
Prediction
0
Icon
Generic Link
0
Do you need to upload a new icon? Add a new Icon
Description
2D NMR predictions provided by NMRShiftDB.org
Back Update External link
Delete
The delete button removes the download link from the page so that this link is no longer visible or
available to the user.
Message from webpage
¦£3»
•mfM Are you sure you want to delete the Google Patents link?
OK
Cancel
Page 17 of 37
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Link Parameters:
Link parameters panel allows administrators to create, edit or delete a parameter that is required to be passed for external
hyperlinks. Examples of possible parameters could be MeSHJD or FDA registry number.
SERA
United States
Environment*! Protection
Chemistry Dashboard
Show 25 Q entries
IrtChlKey
IUPAC Name
Preferred Name
Add a new link parameter
Link Parameters
The add a new link parameter button displays a page that allows administrators to
enter information to create a new link parameter.
Page 18 of 37
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New Link Parameter
Location in dsstox
Select a Location in DSSTox ^
Name
Parameter abbreviation
The edit button displays a page that allows the administer to modify the properties of the link
parameter select.
Page 19 of 37
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Editing Link Parameter
Location in dsstox
I DSSTox Table v|
Name
CAS
Parameter abbreviation
Update Link parameter Back
Destroy
The destroy button removes the link parameter from the page so that this link is no longer
visible or available to the user.
Message from webpage
I
^ Are you sure?
OK
Cancel
Page 20 of 37
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Help Text Table:
The help text model is used to keep the information about help texts for the different sections of the application. For example,
the section that relates to the author text of an AOP would have the id reference to the author heading with the content of
what should be contained in the author section. This panel provides a way for administrators to define the position (top,
bottom, left, right) edit or delete content associated with it
1 A Ji United States
1 Environmental Protection Home
1 * ^ L_l t~\ Agency
Advanced Search Lists
Chemistry Dashboard
aAa Aa -
Help and Info Text Table
Add a new help text
Show 25 [v] entries
Icon Type * Text
Location Popover Pos... Admin Name Created At
The Centers for Disease Control (CDC) Nation.SR NHANES Ta. .
In Figure 4 of the 2014 publication "High Throu.,. SR Exposure Rank
In the 2014 publication 'High Throughput HeurL. SR Expo Pred. T. -
Here, women of "reproductive age" are defined... SR Exposure Re.
This search is based or
re refer to as «q . .. AS M:
CPCat (Chemical and Product Categories) is a... SR CPCat Graph
This graph shows chemical screening data fro... SR ToxCast Graph
The DTXSID is the DSSTOX
identifi... SR DTXSID
Antony Williams 2016-
Antony Williams 2016-
Antony Williams 2016-
Antony \
Antony \
Antony \
Antony \
2016-
2016-
Add a new he3p text
The add a new help text button displays a page that allows administrators to enter
information to create new help text.
Page 21 of 37
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New Help Text
Type
Please select the type of text
Location
Please select the type of text
Popover position
Please select the position of the popover
Text
Type the help text here...
Links may be added using html. (Ex. Here is a link)
Back Create Help text
a © o
0
"0"
The edit button displays a page that allows the administer to modify the properties of the help
text selected.
Page 22 of 37
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Edit Help Text
Type
Information
Location
SR NHANES Table
Popover position
right
0
© O
0
0
Text
The Centers for Disease Control (CDC) National Health and Nutrition Examination Survey (NHANES) is a program of studies designed to assess the health and
nutritional status of adults and children in the United States (link). As part of the NHANES, the CDC V
Links may be added using html. (Ex. Here is a
-------
Manage Lists:
In the top upper left hand corner of the Comptox Dashboard, there is a List link. This page displays aii the preloaded chemical
lists available to the users. The administration list panel allows administrators to create, edit and make these lists visible to
the public. The lists that come from DSSTOX an administrator will find that they cannot change the properties. These list
reside in the DSSTOX table and must be changed in the table. However, application created lists can be created, modified and
deleted from the admin panel. Accessibility column displays the groups that segregate who gets to see which lists and which
lists will remain private.
*>EPA
United Slates
Environmental Protection Home Advanced Search Lists
Agency
Chemistry Dashboard
Lists
Show 25 |v] entries
Search:
Label
Abbreviation
DSSTox Chemical Li...
Short Description
List Owner
Accessibility
Visible
All chemicals in
ChemTrack
COASUMMARIES
240
All chemicals in ChemTrack
Antony Williams
EPA
true
E3
¦lil
EDSP
EPAHERO
EDSPU
HEROMAP
272
318
EDSP Superset of all EDSP Lists
HERO: Health and Environmental Research Online
Antony Williams
Antony Williams
EPA
true
m
~
m
GENRA
GENRA
This is the set of chemicals associated with the GENRA prototype
application development
Antony Williams
EPA
true
o
IRIS Assessments
IRIS
303
Each IRIS assessment can cover a chemical, a group of related
Antony Williams
EPA
true
Q
Q
Jennifer's List
JENNIFER
test list
Jennifer Smith
PUBLIC
hue
Q
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HTTR_MCF7 List
HTTRMCF7
283
A list of chemicals which win be run In the HTTr Pilot Screen in MCF7
cells by Josnua Harrlirs laboratory
Antony Williams
EPA
true
o
¦
OLEM Case Study Ust_v2
OLEMV2
26 chemicals covering a wide range of chemical space, differing levels
of data availability, and highlighting different types of compounds that
are of particular interest to OLEM
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EPA
true
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OLEM RapidTox
Chemicals
OLEMCI
198
OLEM RapidTox Chemicals
Jennifer Smith
EPA
true
m
OPP Inerts List for
RapidTox
OPPINERTS
199
OPP Inerts List for RapidTox
Jennifer Smith
EPA
true
33
a
OPPT Brominated
Phthalates
BRPHTHAL
285
A list of flame retardant brominated phthalates of interest to OPPT
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EPA
true
m
Add a New List
j
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New List
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Label
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Chemicals
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Label: First 10 TSCA Chemicals
Abbreviation: 1QTSCA
Short Description: Requested list of chemicals from TSCA List submitted by Richard
Number of Chemicals: 10
List Owner: Antony Williams
Visible: true
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Edit List
Label
First 10 TSCA Chemicals
Warning: List abbreviations must be unique, cannot contain special characters or spaces, and cannot be edited after list creation
Abbreviation
10TSCA
Short Description
Requested list of chemicals from TSCA List submitted by Richard
Chemicals
DTXSID4020533
DTXSID6021874
DTXSID4023888
DTXSID802Q250
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Property Data;
For chemical properties there are five forms of predicted property data available. These include data from EPISuite, from
OPERA models, from NICEATM models, from the Toxicity Estimation Software Tool models and harvested from the Open
PHACTS project as predicted by ACD/Labs. The Information on Chemical Property Data Sources panel allows an administrator
to create a new data source, view and edit an existing source or delete a source.
I ¦ ¦ \J\ United Slates
1 Environmental Protection Home Advanced Search Lists
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Chemistry Dashboard
a-' [_*] A3*
Information on Chemical Property Data Sources
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Show 25 j>/j entries
Source Name
* Property
Information
Search:
ACD/Labs
LogP
Boiling Point
Melting Point
Advanced Chemistry Development predictor, A. ..
Alfa Aesar is a leading international manufaclu...
Alfa Aesar is a leading international manufactu...
n
M_
Boiling Point
Arkema is a French chemicals producer with a..
633
m
Aspira Scientific
Boiling Point
Company Website:
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Data Source Description
Source Name: ACD/Labs
Property: LogP
Information: Advanced Chemistry Development predictor, ACD/Labs {http://www.acdlabs.com/products/percepta/predictors/logp/). The logP prediction model incorporates two different predictive approaches—Classic and GALAS (Global, Adjusted Locally
According to Similarity). A Consensus logP based on these two models is also available.
Preview of Source: ACD/Labs
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Update Site News:
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share with our users. It is submitted by an administrator that will be posted to the home page automatically. It allows
an administrator to see the details of an existing entry, edit an entry, create a new entry, and delete an entry.
'J"'16'1 Slates
Environm»ntal Protection
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Home Advanced Search Lists
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Chemistry Dashboard 1 * ] Aai
Show 25 [v] entries
nate Created
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01-20-2017 08:40 AM
New CompTox Mobile app releases >700.0...
A new CompTox Mobile application has bee... Antony Williams
a
08-31-2016 11:20 PM
A New Mobile App for Mass Spectrometnsts.
A new mobile app from Kintl Bllnov, of Mole. Antony Williams
d
real
08-23-2016 01:40 PM
ACO/labs Announces integration of ACO/C
TORONTO—(BUSINESS WIRE)-ACD/Labs Antony Williams
m
01-03-2017 10:49 AM
Chemical Substances of Unknown orVariab...
The initial release of the Chemistry Dashbo... Antony Williams
m
08-31-2016 08:34 PM
ChemlDPIus includes mappings from their d. ..
ChemlDPIus is a part of the ToxNet data ne . Antony Williams
ej
08-25-2016 10:45 AM
CompTox Dashboard Chemical Structure C..
All chemical structures available via the Co. Antony Williams
m
08-30-2016 11 35 AM
Mappings to Comptox Dashboard chemical
All chemical structures available via the Co. Antony Williams
~
ia
01-03-2017 09:56 AM
New Version of the CompTox Dashboard R..
If you are reading this news posting then yo... Antony Williams
B
08-31-201611.16 PM
The CompTox DTXSID is accepted to Witod
The substance identifier for all chemical sub Antony Williams
ED
08-23-2016 01:35 PM
Version 1 of the CompTox Dashboard went.
create a new news.
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News Item
Date Posted: January 20,2017
Title: New CompTox Mobile app releases >700,000 chemicals on iPhone and iPad
Body: A new CompTox Mobile application has been released that puts the content associated wrth the dashboard onto an iPad or iPhone in your hand, The data are searchable by name, by CAS Number and link through directly to the dashboard pages. Also Included is the ability to search
by mass and predicted NMR shifts. The link to the iTunes download page is here: https://itunes apple com/us/app/comptox-mobile/id1179517639?ls= 1 &mt=8
Shortened Body (visible on home page): A new CompTox Mobile application has been reieased that puts the content associated with the dashboard onto an iPad or iPhone in your hand. The data are searchable by name, by CAS Number and link t...
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news item selected.
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Title
New CompTox Mobile app releases >700,000 chemicals on iPhone and iPad
Body
A new CoiripTox Mobile application has been released that puts the content associated with the dashboard onto an iPad or iPhone in
your hand. The data are searchable by name, by CAS Number and link through directly to the dashboard pages. Also included is the
ability to search by mass and predicted NMR shifts. The link to the iTunes download page is here:
https://itunes.apple.comi'us/app/comptox-m0'bnefid1179517689?ls=1&mt=S
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Account Preferences:
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