PB-240 658
STRUCTURE-ACTIVITY CORRELATION BIBLIOGRAPHY
WITH SUBJECT AND AUTHOR INDEX
THE FRANKLIN INSTITUTE RESEARCH LABORATORIES
PREPARED FOR
ENVIRONMENTAL PROTECTION AGENCY
MARCH 1975
DISTRIBUTED BY:
National Technical Information Service
U. S. DEPARTMENT OF COMMERCE
-------
TECHNICAL REPORT DATA
(Please reed Iiutmctioni on (Ac reverse before comnletinri
1. REPORT NO.
EPA 560/1-75-001
PB 240 658
4. TITLE AND SUBTITLE
STRUCTURE-ACTIVITY CORRELATION BIBLIOGRAPHY
With Subject and Author Index
6. REPORT DATE
March 1975
6. PERFORMING ORGANIZATION CODE
7. AUTHOR(S)
I. PERFORMING ORGANIZATION REPORT NO.
9. PERFORMING ORGANIZATION NAME AND ADDRESS
Science Information Services Department
The Franklin Institute Research Laboratories
Philadelphia, Pennsylvania 19103
10. PROGRAM ELEMENT NO.
2LA328
11. CONTRACT/GRANT NO.
68-01-2657
12. SPONSORING AGENCY NAME AND ADDRESS
Office of Toxic Substances
U.S. Environmental Protection Agency
401 M Street, S..-M.
Washington, D. C. 20460
13. TYPE OF REPORT AND PERIOD COVERED
INTERIM '••.; :•'-.•
14. SPONSORING AGENCY CODE
IB. SUPPLEMENTARY NOTES
16. ABSTRACT
This bibliography provides references to the literature on two principle methods
of chemical structure-biological activity correlation which employ multiple
regression, the multiple parameter approach (Hansch) and the additive model
(Free-Wilson). The coverage of the literature is mttftt to include major and
representative papers. Important references, both from older and current literature,
are being added to this compilation, which will be updated at the end of 1975.
The bibliography also contains citations to papers employing factor analysis,
discriminant analysis, pattern recognition, and cluster analysis to correlate
chemical structure to biological activity. As these techniques and new ones are
published in the literature, they are being included in the compilation. This
edition of the bibliography covers the literature to November, 1974.
R«produc
-------
-------
This report has been reviewed by the
Office of Toxic Substances, EPA, and
approved for publication. Approval
does not signify that the contents
necessarily reflect the views and
policies of the Environmental Pro-
tection Agency, nor does mention of
trade names or commercial products
constitute endorsement or recommen-
dation for use.
Ill
-------
PREFACE
This bibliography provides references to the*literature on the two
principle methods of structure-activity correlation which employmulti-
ple regression, the multiple parameter approach (Hansch) and the addi-
tive model (Free-Wilson). The coverage of the literature is not exhaus-
tive, but is meant to Include major and representative papers. Important
references, both from the older and current literature, are being added
to this file, which will be updated at the end of 1975. Suggestions
for inclusion of paper in this file are welcomed,'and may be made to
Dr. Paul N. Craig, Science Information Services Department, Franklin
Institute Research Laboratories, 20th and Race, St., Philadelphia, Pa.
19103. . , '
As new analytical techniques to correlate structure with biological
activity and relevant approaches to represent chemical structure are
published, they are also being Included. The bibliography already con-
tains papers employing factor analysis, discriminant analysis, pattern
recognition and cluster analysis.
The original set of papers 1n the structure-activity correlation
bibliography was derived from the files of the Office of Toxic Sub-
stances in the Environmental Protection Agency, and in part, from the
personal files of Dr. Paul N. Craig. It is being kept current by the
scientific literature screening activities of the Science Information
Services Department of the Franklin Institute Research Laboratories.
This edition of the index covers the literature to November 1974.
-------
The Index to the structure-activity correlation bibliography
consists of three parts:
1. Subject Index, p. 1
2. Author Index, p. 35
3. Bibliographic citation of all papers Indexed, p. 39
Numbers following Index terms in the author and subject sections
refer to the appropriate bibliographic citation in the third section.
-------
SUBJECT INDEX
•b inltlo calculi
charge distribution
barbiturates, 3 ,,
acetamlnophenol esters
analgetic activity i
rat, 77. 77 .
LD50'
mouse, 77
partition coefficients, 7[fr
acctanllides ' i '
macromolecular binding • ' '
Hansch method, 150
acetopfaeftones !
reductase, rabbit kidney i
iQJDO MO meth " '
acidity coutaats | , '
, betm-adrcnergic blocking activity
beta-halophenthylamines, 156
; amine oxidise activity, rabbit liver
1 amines; aliphatic, 158
,'! phenethylamines, 158 '
• carbonic i anhydrase inhibition ' :
i sulfonamides! 203 .. : ; ',.
''< oxidative, phosphorylation uncoupling
! phenols, 376 ', , \ '
phenylanthranilic acids, 333 '
serum albumin binding, bovine '
I , phenols, 376 . i ,
sigma star, constants
i correlation. 156 '
acMity coaaUata, correlation with
antibacterial tactivity, ;
phenols, 374\
oxidative phosphbrylation uncoupling
phenols, 374
toxicity
phenols, 374'
TjTDC
LD50
Free-Wilson method] 226
Hansch method, 226!
riiouse, 226
N-acyltrUaUaet '
anti-tumor activity
Hansch method, 381 *
LD50
rat, 381 i
cyclk adeaodne moaophotyhate
guinea pig brain slices
catecholamines, 188
histamines, 188
phenolic amines, 188
phenolic indoleethyUmines, 188
illation
-------
cytokinin activity
plant, 90
growth inhibition
bacteria, 90
tumor cells, 90, 90
•dranergk activity
catecholamines, 287, 288
phenethylamines, 309
stereoselectivity
drugs, 285
beta-adreMrgk activity
cat
indanamines, 119
tetrahydroisoquinolines, 119
Hansch method
catecholamines, 289
adrenergk Mocklni activity
field & resonance constants, corrected
phenethylamines, halo-, 341
Free-Wilson method
phenylethylalkylamines, 43
Hanich method
phenethylamines, halo-, 341
rat
, phenylethylalkylamines, 43
Van der Waals radii
phenethylamines, halo-, 341
beta-adrtnergk blocking activity
acidity constants
beta-halophenthylamines, 156
Hansch method
beta-halophenthylamines, 156
beU-adrenoceptor Uockiag
guinea pig
nitrophenylisopropylaminoethanols, 5
rabbit
nitrophenylisopropylaminoethanols, 5
rat
nitrophenylisopropylaminoethanols, 5
receptor site conformation
nitrophenylisopropylaminoethanols, 5
affinity Mutants
cholinesterase inhibition
dimethoxont, 389
ethylphosphonothioate enantiomers, 391
•flatoxliu
carcinogenkity
Huckel MO method, 177
albumin, human
hydrophobic binding
selected compounds, 311
alcohol fehydrogenaM activity
Hansch method
summary, 163
alcohol deaydrogMatt inhlbttton
Hansch method
benzamides, 153
alcohol-water system*
partition coefficients
selected compounds, 62
alcohols
i DNA denaturization
Hansch method, 178 .
lipoxygenase activity
Hansch method, 239
narcosis, 148
alkyl homologs
membrane permeability
kinetic model, 357
alkylamlnoalkylbenillates
mydriasis
mouse, 94
alkylanillnes
LD50
Hansch method, 81
lipophilicity.'Sl *
rat, 81 .
alkylatioo, rate of
ovicide activity, correlation
bromoethylthiobenzenes, 194
amides
cholinesterase inhibition
review, 299
cytochrome interconversion, 191
DNA denaturization
Hansch method, 178
amURnes, cyclic
anthelmintic activity
Hansch method, 252
•mine oxidase activity, rabWt liver
acidity constants
amines, aliphatic, 158
phenethylamines, 158
Hansch method
•' amines, aliphatic, 158
phenethylamines, 158
amines
demethylation, metabolic
Hansch method, 168
amines, aliphatic
amine oxidase activity, rabbit liver
acidity constants, 158
i Hansch method, 158
amines, aromatic
acetylation-enzymatic
Hansch method, 145
amines, quaternary
acetytcholine receptor affinity
frog, 9
guinea pig, 9
molal volume), 9
cholinesterase inhibition, 278
growth inhibition '
plant, 278 i
muscle contraction
frog, 4
pharmacology, molecular
substrate affinity, 4
•mines, tris-quaternary
cholinergic activity
cat, 211
rabbit, 211
-------
mandelic acids, 30
d-MBino uid oxktaae activity
Hansch method
maleimides, 239, 239
amloo dlpeptita
antibacterial activity
chromatographic (TLC) Rm, correlation. 372
p-anbMMEObtRttM
carcinogenicity
basicity, 59
mouse
imidazolines, 276
indanamines, 95 : •
pethidines, 14, 15
partition coefficients
imidazolines. 276
morphines, 224
rabbit
morphines, 224 '
rat
acetaminophenol esters, 77; 77
review
morphines, 83 . .
anesthetic activity
conformation, 26
guinea pig, 26
ganma-amlnotmtyric add
CNS impulse transmission inhibition, interneuronal
conformation, 213
extended Huckel MO method. 213
amlnoindani
monoamine oxidase inhibition
discriminant analysis, 248
amlnoaltrobeiMnes
sweetness
partition coefficients, 76
ammotetraltaai
monoamine oxidase inhibition
discriminant analysis, 248
amphetamine antagonism
rat
butyropheoones, 196
chlorpromazines, 196
amphetamines
enzyme inhibition
Hansch method, 149
hallucinogenesis
Huckel MO-INDO method, 207
Huckel MO method, 121
human. 121, 207
amylase secretion
mouse
catecholaminet, 388
anabolic activity
rat
terpenoates, nortestosterone, 260
auleetic activity
animal
pethidlne, 13
conformation
pethkttne, 13
pethidines, 14. IS
Free-Wilton method
indanamines, 95
Hansch method
imidazolines, 276
morphines, 224
HOMO constants
imidazolines, 276 .
Huckel MO method
imidazolines, 276
activity
conformation , : ..
para-aminobenzoates, 26
guinea pig
para-aminobenzoates, 26
dkthylaminoethyl benzoates, 147
Hansch method
ethers, 115 ..'•
mouse
ethers, 115 :
partition coefficients . . ' .
ethers. 115
rabbit . .
ethersi 174 ......
stereoselectivity ,' . ~
drugs, 285
aa«atWtica ' ' '•"•' ; ' ;; .
conformation •
benzoyloxyalkylamines, 65 '
local aMtkctica
lecithin monolayer interaction
ionization potential correlation,. 181.
mole refractivity, 181
rabbit, 88
hill reaction inhibition
Hansch method, 143
Huckel MO method, 204
plant, 116
value*
pi constants, 104
cytochrome interconversion
pi constants, 191
hemoglobin binding, bovine.
Hansch method, 212
partition coefficients, 212
macromolecular binding
Hansch method. ISO
sweetness
human, 227
MttMcthywmlne
sympathomimetic activity .
conformation, 64
analgetic activity
pethidine, 13
-------
aaftrectic activity
dog ;
benzylcyclopropylamines, 200
rat
benzylcyclopropylamines, 200
anthehnlntic activity
Hansch method
cyclic amidines, 252
anttarthrytic activity
substructural features, correlation
SK & F fragment codes, 367
antibacterial activity
see also bactericidal activity
acid dissociation
sulfanilamides, 16
acidity
sulfonamides, 66
acidity constants, correlation with
phenols, 374
benzyl amines (quaternary), 148
bond character, correlation
benzenesulfonamides, 313
chloramphenicols, 316
chromatographic (TLC) Rm, correlation
amino dipeptides, 372
guanidinoalkanesulfonic acids, 371
Free-Wilson method
erythromycin esters, 249
erythromycins, 384
tetracyclines, 48, 95
Hansch method, 148, 148
chloramphenicols, 40, 49, 154
clindamysins, 385
erythromycin esters, 249
erythromycins, 384
leucomycins, 385
lincomycins, 385
nitrophenols, %, 96
penicillins, 142
phenols, 374
review, 380
selected organic compounds, 238
sodium alkyl sulfates, 148
sulfonamides, 103, 263
tetracyclines, 48, 49
homolytic constant
chloramphenicols, 154
infrared absorption, correlation
sulfonamides, 314
molar attraction constant
penicillins, 282
nitrobenzofurans, 286
nitrofuraldehyde semicarbazone, 73
partition coefficients
clindamysins, 385
erythromycin esters, 249
erythromycins, 384
leucomycins, 385
lincomycins, 385
selected organic compounds, 238
phenols, 327
polarizabiiity •'.'-"
chloramphenicols, 40 -.'.-...•
sigma constant, correlation •'••. ' .
benzenesulfonamides, 313 . . •'".-,'
penicillins, 173 ' . .
sulfonamides, 44
sigma constants .
selected organic compounds, 238
antibacterial*
sulfa drugs :
dosage regimen calculation, 219, 220
antlconvulsut activity
conformation
procyclidine, 39
antidepresaant activity ;
mouse
phenothiazines, 202
rat
phenothiazines, 202
aatlflbrinolytic activity
chromatographic (TLC) Rm, correlation
guanidinoalkanesulfonic acids, 371
i .
antifurtgal activity
Hansch method :
trichloromethylthioheterotyles, 390 i
oxathiins, 321
thiazoles, 321
partition coefficients
trichloromethylthioheterocyles, 390
j , ' '
MttUitamlM activity
ethers, 174
guinea pig, 118
phenethylamines, halo-, 118
Hansch method
diphenhydramines, 377
steric parameter, correlation
diphenhydramines, 377
antihypertemive activity
Hansch method • . .
benzothiadiazine dioxides, 336
benzothiadizaines, 353
extended Huckel MO method
benzothiadizaines, 353
partition coefficients
benzothiadiazine dioxides, 336
rat
benzothiadiazine dioxides, 336
antilnflanunatory activity
• Free-Wilson method
aryltetrazolylalkanoic acids, 36
Hansch method
aryltetrazolylalkanoic acids, 36
coiiisols, 355
molar refractivity
cortisols, 355
rat
aryltetrazolylalkanoic acids, 36
tetrahydronaphthoic acids naphthoic acids, 199
-------
•atitMkemlc activity
see a/so antitumor activity
mouse
benzophenanthridine alkaloids, 326
antimlartal activity
chicken
chloroquines, 10, II
Free-Wilson method
phenanthreneaminoalkylcarbinols. 366
phenylquinolyl carbinols, 70
Hansch method
arylamidinoureas, 332
chloroqiiines, 10, II
Del Re MO charge parameter, 10, 11
Huckel MO charge parameter, 10, 11
naphthoquinones, 247, 383
phenanthreneaminoalkylcarbinols, 366
Huckel MO method
naphthoquinones, 247, 383
mouse
phenylquinolyl carbinols, 70
partition coefficients
naphthoquinones, 383
phenanthrene amino alcohols, 55, 56
redox potential
naphthoquinones, 247.
antimicrobial activity
macrolides, 281
antimicrobials
partitioning in gelatin-acacia coacervate system
determination, 198
antipressor activity
rat
phenethylamines, halo-, 118
aattpsychotle activity, correlation
phenolhiazine isosteres, 315
antitumor activity
see also antileukemic activity
see also cancer chemotherapy
see also leukemia chemotherapy
see also tumor-inhibitory activity
chlorambucil amides, 361
Hansch method
N-acyltriamines, 381
nitrogen mustards, 381
platinum complexes, 186
rat
oxazaphosphorine-2-oxides, 362, 362
rodent
oxazaphosphorine-2-oxides, 363, 363
aatfvlral activity
benzthiazoles, tetrahydro-, 233
phenyliraidazoles, 233
indandiones, 375
ketosulfones, 375
hydroxyquinolines, 233
thiazoles amino(phenyl), 233
aaomorphine antagonism
rat
butyrophenones, 196
chlorpromazincs, 196
aroautic eoaqpouafc
partition coefficients
MO description, 308
aromatic hydrocarbons, polynuclear
carcinogenicity
electron super-delocalizability, 271
electronic structure, 294
frontier electron density,'271 .
K. region,! presence of, 294
L region, presence of, 294
rodent, 147
arylamidiaooreas
antimalarial activity
Hansch method, 332
arylbatyrk acMa
partition coefficients, chromatographic
pi constant correlation, 221
arylproplook acids
panition coefficients, chromatographic
pi constant correlation, 221
aryltttrmiolylalkanoie acids
antiinflammatory activity
Free-Wilson method, 36
Hansch method, 36 •
rat, 36 'I ' (
•tropiMS
acetylcholine receptor affinity
epimerization, 8
guinea pig, 8
aixla activity
Hansch method
phenoxyacetic acids, 97, 159, 160
phenylacetic acids, 97, 268
partition coefficients
phenoxyacetic acids, 159, 160
axtdo(bisalkylamliio)triaxines
photosynthesis inhibition
Hansch method. 111
plant, 111
bis-asirMlayl alkylaaUaophosphlae oxides
mutagenicity
mouse, 325
Ms-adridinyl alkylphospMne oxides
mutagenicity,
mouse, 324
bacteria
growth inhibition, 90
adenosines, 90
bactericidal activity ' i
see also antibacterial activity
CNDO MO methods
chloramphenicols, 187
conformation
chloramphenicols, 187
electron affinity
nitrofurans, 183
Hansch method
cephalosporin, 18
chloramphenicols, 160, 162
. para-Hydroxybenzoates, 141
-------
penicillins, 18, 166
Huckel MO method
nitrofurans, 183
extended Huckel MO method
chloramphenicols, 187
lipophilicity
cephalosporin, 18
penicillins, 18
parachor
chloramphenicols, 254
partition coefficients
chloramphenicols, 160, 160, 254
trifluoromethylphenols, 75
penicillins, 175
barbiturates
ab initio calculations
charge distribution, 3
classification into groups
pattern recognition, 58
structural fragments, 58
CNDO/2 MO methods
charge distribution, 3
egg cell division inhibition
Hansch method, 137
sea urchin, 137
Hansch method
charge distribution, 3
hypnosis
Hansch method, 137, 167
mouse, 184
LD50
mouse, 184
membrane permeability
partition coefficients, 113
metabolism of drugs
Hansch method, 167
NADH oxidation inhibition
Hansch method, 137
brain oxygen consumption inhibition
Hansch method, 137
rat, 137
scrum albumin binding
hydrophobic binding, 99
barley
toxicity
DDT, 342
basicity
carcinogenicity
p-aminoazobenzenes, 59
hydrogen bonding index, 106
nicotines, correlation, 106
sigma star constants
nicotines, correlation, 106
sweetness
nitroanilines, 228
behavioral effect
configuration
quinuclidinyl benzilate, 259
dog
quinuclidinyl benzilate, 259
benzamides
alcohol dehydrogenase inhibition
Hansch method, 153
partition coefficients
Hansch method, 153
benzamiiUnes
thrombin inhibition
Hansch method, 61
benzene substltuent rallies
pi constants, 104
benzenes
LD50
Free-Wilson method, 46, 364
Hansch method, 46 ;
Kopecky-Bocek method of S/A correlation, 215
mouse, 46, 215, 364
partition coefficients
MO description, 308
toxicity ' • • .
mouse, 24 '
beaieneguifonaniides '
antibacterial activity
bond character, correlation, 313 ' '
sigma constant, correlation, 313
beazlmiduoles
influenza virus multiplication inhibition, 331
oxidative phosphorylation uncoupling
electronic substituent constant of Seth-Paul/Van Duyse
334
Hansch method, 334
|beniisothtesolet, amlno
gastric secretion inhibition
conformation, 37
partition coefficients, 37
rat, 37
{beuoate esters, amino
membrane permeability
partition coefficients, 92
benzoates
hapten-antibody interaction
Hansch method, 378
steric parameter, correlation, 378
benzoates, hydrolysis
ortho steric parameter
electronic dependence, 53, 54
|bauoatesv p-Hydroxy
bactericidal activity
Hansch method, 141
fungicidal activity
Hansch method, 141
beuoates, transesterification
ortho steric parameter
electronic dependence, 54
benzodloxoies
insecticide synergism
fly, 126
Hansch method, 126
homolytic constant, 126
jbencok aeM substltuent rallies
pi constants, 104
betook adds
fibrinolysis
Hansch method, 172
-------
LD50. ^"Vv'"
mosquito larvae, 147, 173
sigma constant, correlation, 173
tigma constants
SCF-INDO MO charge densities, correlation, 205
beuoic acidly eiteriflcatton
ortho sleric parameter
electronic dependence, 5J
benxotheaantkrMlM alkaloids
antileukemic activity
mouse, 326.
cytotoxicity
mouse, 326.
beuothladiariM dioxide*
antihyperiehsive activity
Hansch method, 336
partition coefficients, 336
rat, 336
partition coefficients, 337
benxothiadlzalaei ... ''
antihypertehsive activity
Hansch method, 353
extended Hiickel MO method, 353
beMoyloxyalkylamlnes
anesthetics
conformation, 65
PC1LO MO method
conformation, 65
bMithiatole*, tetrahydro-
antiviral activity, 233
bmyl alcohol lubttltuMt value*
pi constants, 104
bMiyl amlnc*
antibacterial activity, 148
phenethanqiamine N-methyltransferase inhibition
Hansch method, 110
bcnsylcyclopropylamlntt
anorectic activity
dbg, 200
rat, 200
bcwylifoqulMllae alkaloids
tumor inhibitory activity, 222
hlHdlnf to protein
tee alsv bovine
see J/w dihydrofolate reductase binding
see also hemoglobin binding
see also plasma protein binding
see serum albumin binding
biological activity
correlation with structure
computer storage-retrieval, 67
iterative correlation procedure, 35
rodent
oxazaphosphorine-2-oxides, 363, 363
bond character, correlation
antibacterial activity
benzenesulfonamides, 313
albumin binding
Hansch method
organic compounds, 178
selected organic compounds,!7.31
brain T* train tumor penetration
mouse
phenylboronic acids, 323
partition coefficient*
phenylboronic acids, 323 "•' -
brack
thing
WLN
decoding, 229
alkyiation, rate of
ovicide activity, correlation, 194, •'
hydrolysis
linear free energy relationship, 193
ovicide activity, correlation . . -
Hansch method, 192
mite, 192
batyrlchoUatsterau lahioitioa
cholinesterase inhibition
Free-Wilson method
decylcarbamoyl piperidines, 60 •
Hansch method
decylcarbamoyl piperidines, 60
bBtyropheamm
amphetamine antagonism
i rat, 196
apomorphine antagonism
rat. 196
neuroleptk activity
rat. 195
CMMT chcMothenpy
sec tlso antitumor activity
Free- Wilson method
carbamates, acetylenic, 300
carbamatM ..
cholinestcrase inhibition
Hansch method, 144
Hill reaction inhibition
Hansch method, 143
plant, 349
pesticide uptake
eggs of large milkweed bug, 29
carbaaute*, acctylenk
cancer chemotherapy
Free-Wilson method, 300
eartMunatw,
LD50
rat. 381
cholinesterase inhibition
Free-Wilson method, 296
carbanoylpiBeridlnoalkanes
cholinesterase inhibition
Free-Wilson method, 12
plasma, human, 12
-------
cholinesterase inhibition
charge densities from MO, contribution, 297
dipole moments, 297
Hansch method, 297
review,-299
bcta-carbolinei
monoamine oxidase activity
Hansch method, 239
monoamine oxidase inhibition, 185
carbonic anhydrase activity
Hansch method
sulfonwnides, 239, 239
carbonic anhydrite InMWtkw
acidity constants
sulfonamides, 203
Hansch method
sulfonamides, 203
partition coefficients
sulfonamides, 203
protein-binding constants
sulfonamides, 203
valence-force constants
sulfonamides, 203
(3
-------
metabolism of drugs ,
Huckel MO method. 243
chlorinated hydrocarbon
pesticide uptake
eggs of large milkweed bug, 29
chloromycettas
see chloramphenicols
chloroquiitM
antimalarial activity
chicken, 10, 11
Hansch method, 10, 11
parasite inhibition
Free-Wilson method, 189
chlorpromariMs
amphetamine antagonism
rat, 196
apomorphine antagonism
rat, 196
neuroleptic activity
dog, 201
mouse, 201
rat, 195, 201 j
choiine acetyitransfe
Inhibition
Hansch method
styrylpyridines, 2
Huckel MO method
styrylpyridines, 2
rat
styrylpyridines, 2
chotinergic activity
cat
amines, tris-quaternary, 211
ethers, 174
rabbit
amines, tris-quaternary, 211
stereoselectivity
drugs, 285
cbollnesteraae complexatlon
hydrolysis •
N-methylcarbamates. 279
sigma constants
N-methylcarbamates, 279
cholineiteraM Inhibition
see a/so acetylcholine headings
see also butyrlcholinesterase inhibition
see tlso phosphates, organo-
afTinity constants
dimethoxons, 389
ethylphosphonothioate enantiotners, 391
amines, quaternary, 278
charge densities from MO, contribution
carbamoylpiperidinoalkanes, 297
correlation with physical parameters
organophosphates, 109
dipole moments
carbamoylpiperidinoalkanes, 297
fly, 277
phosphates, sulfurpentafluorophenyl diethyl, 255
phosphoramidates, 277, 277
Free-Wilson method
carbamoylpiperidines, 296
alkyl-3-carbamoylptperidines, 12
Hansch method
carbamoylpiperidinoalkanes, 297 .
organophosphates, 108, 129 •
organophosphates, 144
organophosphonates, 144 -
phosphoramidates, 277
organophosphoramidates, 144 : -
urethanes, 144 :
Huckel MO method
N-methylcarbamates, 273
organophosphates, 273
insect .
organophosphates, 109
N-methylcarbamates, 255
N-methylcarbamates, phenyl, 256, 257
plasma, human
alkyl-3-carbamoylpiperidines, 12
review
amides, 299
carbamoylpiperidinoalkanes, 299
organophosphates, 108
sigma constant
phosphates, sulfurpentafluorophenyl diethyl, 255
steric parameter
organophosphates, 129 •
choUaestenu* reactivation '
hydroxviminomethylimidazoles, 122
chromatotraphic (TLO Rm
partition coefficients
penicillins, 17
chrwMtographic (TLC) Rm, correlatioa
antibacterial activity
amino dipeptides, 372
guanidinoalkanesulfonic acids, 371
antiflbrinolytic activity . .
guanidinoalkanesulfonic acids, 371;
chymotrypain hydrolysis
Hansch method, 139 !
nitrophenyl esters, 134
chymotrypsta Inhibition
Hansch method •
(3-carboxy)phenyl alkanoates, 319
Hnaaalr aeMs
growth-regulation
plant, 340
partition coefficients, chromatographic
pi constant correlation, 221
clmUr diehrolsm
chlpramphenicols, 265
claasiilcatkNi intp groups
cluster analysis .
sedatives, 58
tranquilizers, 58
Fisher discriminant
sedatives, 58
tranquilizers, 58
K nearest neighbor technique
sedatives, 58
tranquilizers, 58
pattern recognition
barbiturates, 58
cluster analysis, 217
-------
nonlinear mapping, 217
phenothiazines, 38
preprocessing, 217
structural fragments
barbiturates, 58
phenothiazines, 58
sedatives, 58
tranquilizers, 58
cllndamysini
antibacterial activity
Hansch method, 385
partition coefficients, 385
ctater analysis
see also pattern recognition
classification into groups
sedatives, 58
tranquilizers, 58
pattern recognition
classification into groups, 217
substituent selection in drug design, 171
CNDO/INDO MO method*
norepinephrine storage
phenethylamines, polyhydroxy-, 210
CNDO MO method
conformation
dopamine, 208
norepinephrine, 208
bactericidal activity
chloramphenicols, 187
reductase, rabbit kidney
acetophenones, 180
CNDO/2 MO methods
charge distribution
barbiturates, 3
CNS activity
conformation
acetylcholine and agonists, 293
dipole moments
selected organic compounds, 241
Hansch method
selected organic compounds, 241
mouse
selected organic compounds, 241
PCILO MO method
acetylcholine and agonists, 293
rat
selected organic compounds, 241
CNS depressant activity
dipole moments
thioureas, 240
ureas, 240
mouse
terpenyl carbamates, 261
thienodiazepines, 272
thioureas, 240
ureas, 240
rat
thienodiazepines, 272
CNS Impute transmission inhibition, Interaeuronal
conformation :
gamma-aminobutyric acid analogues, 213
extended Huckel MO method •
gamma-aminobutyric acid analogues, 213
cockroach
penetration of cuticle
pesticides, 280
complement inhibition, 61
computer decoding
WLN for complex rings, 84 .'
computer ru, batch- time sharing
Hansch method, 68
computer storage
chemical-biological activities
structural information, 82
computer storage-retrieval
biological activity
correlation with structure, 67
configuration
behavioral effect '
quinuclidinyl benzilate, 259
conformation
acetylcholine receptor affinity, 7
agonist activity
histamines, 112
analgetic activity
pethidine, 13
pethidines, 14, 15
anesthetic activity
para-aminobenzoates, 26
anesthetics
benzoyloxyalkylamines, 65
anticonvulsant activity
procyclidine, 39
bactericidal activity
chloramphenicols, 187
CNDO MO method
dopamine, 208
norepinephrine, 208
CNS activity
acetylcholine and agonists, 293
CNS impulse transmission inhibition, interneuronal
gamma-aminobutyric acid analogues, 213'
gastric secretion inhibition
aminobenzisothiazoles, 3?
Huckel MO method
chlorinated ethanes, 245
norepinephrine storage
phenethylamines, polyhydroxy-, 210
PCILO MO method
acetylcholines, 290. 292
benzoyloxyalkylamines, 65
phenethylamines, 291
phenoxyethyl amine, 64
phosphorylase phosphatase inhibition
nitroheterocycles, 306
schistosomicide
nitroheterocycles, 306
10
-------
sympathotniihetic activity
anilinoethylamine, 64
pherioxyethyl amine, 64
phehylthioethylamine, 64
correlation wMfc phyakal paramctan
cholinesterase inhibition
organophosphates, 109
LD50
organophosphates, 109
correlation wttfc atnwtare
biological activity
computer storage-retrieval, 67
iterative correlation procedure, 35
thyroxine activity
diphenyl ethers, 34
cortlaob . ;
anti-inflammatory activity
Hansch method, 355
molar refractivity, 35}
cromoglycates .'•
cutaneous ahaphylaxis
rat, 38 ...
cutaneous auphylaxii
rat
cromoglycates. 38
cyclopropyhuataea
monoamine oxidase inhibition
rat, 358
cytochrome laterconvenioii
amides, 191
pi constants
anilines, 191
phenols, 191
ureas, 191
cytoklnin activity
plant •
adehosines, 90
tobacco plants
thioureas, 33
ureas, 33 • •
cytotoxfcity
mouse
benzophenanthridine alkaloids, 326
data bate, computerised
structure-activity data
standardization, 155
WLN encoding & retrieval, 155
DDT
toxicity
barley, 342
decallM,
ganglionic blocking activity
lipophilicity, 351
decarboxylaae lahlbltkio
Huckel MO method
indolealkylamines, 121
decoding
WLN '' ,
branch chain searching, 229.
multiplied group searching, 229 :
decykarkaawyl pipcrMlnes •
butyrlcholtnesterase inhibition
Free-Wilson method, 60 :
Hansch method, 60
Del Re MO charge parameter :
antimalarial activity
Hansch method, 10, 11 .
Dal Re MO, Modified
partition coefficients
electronic indices, 47 , .
deatetfcylatlM, MtaboUc
Hansch method
amines, 168
oxyalkaaes ':
enzyme inhibition, 1 14
|tiaailBei, bMdlddoroacetyl)
electron transport inhibition
Hansch method, 338
partition coefficients, 338
dkhloropheaoxyacrylatet
plant growth inhibition, 373
Hansch method, 373
partition coefficients, 373
dtethylMBlMcthyl bewmitei
anesthetic activity
guinea pig, 147
41«thylaniiioethyl estert .
acetylcholine inhibition ;
guinea pig, 27 '
Hanich method, 27
dlkyaVofolate reductase btadlm
Hansch method
pyrimidines, 264
triazines, 264
partition coefficients
pyrimidines, 264
triazines, 264
dihytfroxybeaioyl aalllnes
succinate dehydrogenase inhibition
Hansch method, 80
pi constants, 80
dfanethoioM
cholinesterase inhibition
affinity constants, 389
carcinogenicity
rodent, 147
skin sensitization
Hanich method, 379
molar volume, 379
partition coefficients, 379
1,3-dioxobMM
acetylcholine receptor activity
guinea pig, 51
Hansch method, 51
11
-------
rat, 51
dlpnenhydraraine*
antihistamine activity
Hansch method, 377
steric parameter, correlation, 377
diphenyl ethers
thyroxine activity
correlation with structure, 34
dlpfaenylalkylenedlamines
ftbrinolytic activity
rat, 91
diptienylaminopropanota
factor analysis
several biological tests, 347
dipole moments
cholinesterase inhibition
carbatnoylpiperidinoalkanes, 297
CNS activity
selected organic compounds, 241
CNS depressant activity
thioureas, 240
ureas, 240
isonicotinamide, 302
neuraminidase inhibition
isoquinolines, 387
nicotinamides, 303
nipecotamides, 304
group dipole moments
N-alkyl nicotinamides, 295, 298
discriminant •nalysii
chance estimate bias
validation procedures, 370
interpretation, 267
monoamine oxidase inhibition
aminoindans, 248
aminotetralins, 248
dissociation
partition coefficients, chromatographic
pi constant, correlation, 221
diuretic activity
rat
naphthyridines, 176
DNA biosynthesis Inhibition
steady state model
drug interactions, 348
DNA denaturlzatlon
Hansch method
alcohols, 178
amides, 178
dog
anorectic activity
benzylcyclopropylamines, 200
behavioral effect
quinuclidinyl benzilate, 259
hypotensive activity
sulfamoyl azides, 250
neuroleptk activity
chlorpromazines, 201
salicylate blood level
salicylic esters, 78
sympathomimetic activity inhibition ' :
phenethanolamines, 225 • .:-
dopamine ' • •
CNDO MO method
conformation, 208 . . - ' *
dopamine beta-hydroxylase activity
Free-Wilson method'
phenethylamines, 102 .
dosage regimen calculation '
antibacterials . "•'• .-
sulfa drugs, 219, 220
drug design ;
Hansch method, 135
review, 133
Topliss tree, 133 ,
examination of, 382 •.• -
drug-receptor interaction
Hansch method
MO parameters, 41 •
physicochemical properties, influence, 93
drugs
adrenergic activity
stereoselectivity, 285
analgesic activity
stereoselectivity, 285
cholinergic activity
stereoselectivity, 285
histamimc activity
stereoselectivity, 285
permeability across biological membranes
partition coefficients, 305
review, 305
egg cell division inhibition
Hansch method
barbiturates, 137
sea urchin
barbiturates, 137
eggs of large milkweed bug
pesticide uptake
carbamates, 29
chlorinated hydrocarbons, 29
organophosphates, 29
partition coefficients, 29
electron affinity
bactericidal activity
nitrofurans, 183
electron snper-delocallzability
carcinogenicity
aromatic hydrocarbons, polynuclear, 271
electron transport inhibition
Hansch method
bis(dichloroacetyl)diamines, 338
naphthoquinones, 338
partition coefficients
bis(dichloroacetyl)diamines, 338
naphthoquinones, 338
electronic dependence
ortho steric parameter, 52
benzoates, hydrolysis, 53
benxoates, saponificttion, V
-------
benzoates, transeslerifieation, 54
benzoic Kids, esterifkation, 33
electronic iaifeee
partition coefficients
Del Re MO, modified, 47
electronic parameters
see aJso sigma constants
Hansch method, 129
review, 131
electronic structure
carcinogenicity
aromatic hydrocarbons, polynuclear, 294
eteetroMlc ssbttlrttent coMtant of Scth-Pwl/Van Day*
oxidativ'e phosphorylation uncoupling, 334
benzimidazbles, 334
phenols, 334
enzyme InUMtfaM
diamidinodiphenoxyalkanes, 114
Hansch method
amphetamines, 149
epteerliatioB
acetylcholine receptor affinity
atropines, 8
epoxidatlon of aldrln, uhibltioB la microtomes
Hansch method
alkylimidazoles, 352
efoiUhrium model
structure-activity relationships, 182
enrthrontycln*.
antibacterial activity
Free-Wilson method, 249. 384
Hansch method, 249, 384
partition coefficients, 249, 384
ether*
anesthetic activity
Hansch method, 115
mouse, 115
partition coefficients, 115
rabbit, 174
antihistamine activity, 174
cholinerfic activity, 174
myotropic activity, 174
ettiylphocphonothloate enaatlomer*
cholinesterase inhibition "• •'
affinity constants, 391
excretion
rat
sulfonamides, 101, 101
extrapyramtdal syndrome
side effects, computer sorting
structural features of drugs, 236
extratberraaiynamlc relationship!
theoretical basis, 354
factor analyst*
in structure-activity correlations, 347:
several biological tests
diphenylaminopropanok, 347 .
flbrhwlytic MtlTtty
Hansch method
benzoic acids, 172 .
salicylic acids, 172
rat
dipbcnylalkylenediamines, 91
i . .
IteM •ffcct cmHtuts
progestational activity
progesterones, 356
fleM A rewwutce constants
derivation, 328
values for selected compounds, 161
fleU Jk resouBce constant*, corrected
adreneryic blocking activity .
phenethylamines, halo-, 341
Fteher dlMrtalnaat
see *lso pattern recognition !
classification into groups
sedatives, 58
tranquilizers, 58 .'
Hy
cholinesterase inhibition, 277
phosphates, sulfurpentafluorophenyl diethyl, 235
photphoramidates, 277, 277
insecticide synergism
benzodioxoles, 126
LD50
N-methylcarbamates, 255
N-methylcarbamates, phenyl, 256, 237
organophosphates, 147
phenylphosphates, 275
phosphates, sulfurpentafluorophenyl diethyt, 255
phosphorothioates, 275
foUte syatkctase inhlkition
Hansch method
sulfonamides, 263 ,
free energy relationship
see linear free energy relationship
method '
adrenergk blocking activity
phenylethylalkylamines, 43
analgetic activity
indanamines, 95
antibacterial activity
erythromycin esters, 249
erythromycins, 384
tetracyclines, 48, 95
antiinflammatory activity
aryltetrazolylalkanoic acids, 36
antimalarial activity
phcnanthreneaminoalkylcarbinols, 366
phenylquinolyl carbinols, 70
butyrlcholinesterase inhibition
decylcarbamoyl piperidines, 60
U
-------
cancer chemotherapy
carbamates, acetytenic, 300
cholinesterase inhibition
carbamoylpiperidines, 296
alkyl-3-carbamoylpiperidines, 1 2
description of model, 95
dopamine beta-hydroxylase activity
phenethylamines, 102
Hansch method
comparison, 71
interrelationship, 43, 318
hypoglycemic activity
piperidinesulfamylsemicarbazides, 320
LD50
acrylic esters, 226
benzenes, 46, 364
indanamines, 95
methacrylic esters, 226
minimal statistical data required, 72
norepmephrine-uptake inhibition
phenethylamines, 6
parasite inhibition
chloroquines, 189
review, 274, 312
pesticides, 98
review, short, 301
statistical tests '& interpretation, 189
frog
acetylcholine receptor affinity
quaternary ammonium salts, 9
muscle contraction
quaternary amines, 4
nicotine activity
acetylcholines, halo-, 57
frontier electron density
carcinogenicity
aromatic hydrocarbons, polynuclear, 271
funfdcidal activity
acidity
phenols, 22
Hansch method, 157
imides, 235
para-Hydroxybenzoates, 141
partition coefficients
imides, 235
phenols, 21
solubility
phenols, 22
gmglionlc blocking activity
tilVilllHHlt»lnitiltn'i.
•mtrlc Mention Inhibition
conformation
aminobenzisothiazoles, 37
partition coefficients
aminobenzisothiazoles, 37
rat
aminobenzisothiazoles, 37
•benyl glucottdes
hydrolysis-enzymatic
Hansch method, 145
ghitamate fchydrognase inhibition
phenothiazine isosteres, 315
Ldpha-glyceropboipliate dehydrogenize InhibttkM
nicotinamides, 214
group theory, relationship
LD50
selected organic compounds, 365
growth Inhibition
bacteria, 90
adenosines, 90
plant
amines, quaternary, 278 •
tumor cells
adenosines, 90, 90
growth regulation
plant : t
carboxylic acids, 269
ciniumic acids, 340
review, 345
structure-activity relationships, 345
gnanidino«lkanesulfonlc tcidt
antibacttrial activity
chromatographic (TLC) Rm, correlation, 371
antifibrinolytic activity
chromatographic (TLC) Rm, correlation, 371
guinea pig
acetylcholine inhibition
diethylaminoethyl esters, 27,
acetylcholine receptor activity
1,3-dioxolanes, 51
acetylcholine receptor affinity
acetylcholines, 7
atropines, 8
homatropines, 7 '
hyoscines, 7
hyoscyamines, 7
quaternary ammonium salts, 9 :
beta-adrenoceptor blocking
nitrophenylisopropylahiinoethanols, 5
anesthetic activity
para-aminobenzoates, 26
diethylaminoethyl benzoates, 147
antihistamine activity, 118
phenethylamines, halo-, 118
muscarine activity
acetylcholines, halo-, 57
sympathomimetic activity inhibition
phenethanolamines, 225
gulftM pl« drain «llcw
fJHi-llt- adMlimlHc rHHlW|*lln«til«Slt>
titecholamltie», IRH
hiitaminn. 188
phenolic amines, 188
phenolic indoleethylamines, 188
halhKinog«Mdi
Huckel MO-INDO method
amphetamines, 207
Huckel MO method
amphetamines, 121
human
amphetamines, 121, 207
hatocetatw
14
-------
chaotropy •
Hansch method, 140
pi constants, 140
Hanach method, 43
acetylation-enzymatic
amines, aromatic, 145
acetylcholihe inhibition
diethylaminoethyl esters, 27
acetylcholine receptor activity
1,3-dioxolanes, 51
acidity
phenols, 96, 105
beta-adrenergic activity
catecholamines, 289
adrenergic blocking activity
phenethytomines, halo-, 341
beta-adrenergic blocking activity
beta-halophenthyUmines, 156
alcohol dehydrogenase activity
summary, 165
alcohol dehydrogenase inhibition
benzamides, 153
amine oxidate activity, rabbit liver
amines, aliphatic, 158
phenethyUmines, 158
d-amino acid oxidase activity
maleimides, 239, 239
analgetic activity
imidazolines, 276
morphines, 224
anesthetic activity
ethers, 115
anthelmintic activity
cyclic amidines, 252
anti-inflammatory activity
cortisols, 355
anti-tumor activity
N-acyltriamines, 381
nitrogen mustards, 381
antibacterial activity, 148, 148
chloramphenicols, 40, 49, 154
clindamysins, 385
erythromycin esters, 249
erythromycins, 384
leucomycins, 385
lihcomycins, 385
nitrophenols, 96, 96
peniciHins, 142
phenol*, 374
review, 380 . .', •
selected organic compounds,.238
sodium alkyl sulfates, 148
sulfonaraides, 103, 263
tetracyclines, 48, 49
antifungal activity :
trichloromethylthioheterocyles, 390
antihistamine activity
diphenhydraminea, 377
antihypertentive activity
benzothiadiazine dioxides, 336
benzothiadizaines, 353.
antiinflammatory activity
aryltetrazolylalkanoic acids, 36
antimalarial activity
arylamidinoureaa, 332
chloroquines, 10, 11
Del Re MO charge parameter, 10, 11
Huckel MO charge parameter, 10, 11 .
naphtnoquinones, 247, 383
phenanthreneaminoalkylcarbinpls, 366
auxin activity
phenoxyacetic acids, 97, 159, 160
phenylacetic acids, 97, 268
bactericidal activity
cephatoaporin, 18
chloramphenicols, 160, 162 : '
para-Hydroxybenzoates, 141
penicillins, 18, 166
bovine serum albumin binding , •
organic compounds, 178
selected organic compounds, 231 . ..
butyrlchotinesterase inhibition -
decylcarbamoyl piperidines, 60
carbonic anhydrase activity i
sulfonamides, 239, 239
carbonic anhydrase inhibition .
sulfonamides, 203
chaotropy '
haloacetates, 140
charge distribution
barbiturates, 3 • ... • ' •
choline acetyltransferase inhibition
styrylpyridines, 2 . .' " :
cholinesterase inhibition
carbamoylpiperidinoalkanes, 297 .
organophosphates, 108, 129
organophosphates, 144
organophosphonates, 144 . .
phosphoramidates, 277
organophosphoramidates, 144. .
urethanes, 144
chymotrypsin hydrolysis, 139
nitrophenyl esters, 134
chymotrypsin inhibition '.
(3-carboxy)phenyl alkanoates, 319
CNS activity i
selected organic compounds, 241 .
computer run, batch, 68
computer run, time-sharing, 68
demethyUtion,, metabolic
amines, 168
dihydrofolate reductase binding
pyrimidines, 264
triazines, 264
DNA denaturization
alcohols, 178
amides, 178 ,
drug design, 135
review, 133
drug-receptor interaction , •
MO parameters, 41
egg cell division inhibition
barbiturates, 137
electron transport inhibition
bis(dJchloro8cetyl)diamines, 338
naphthoquinones, 338
electronic parameters, 125
enzyme inhibition
.amphetamines, 149 .
epoxidation of aWrin, inhibition in microsomes
alkylimidazoles, 352
IS
-------
fibrinolysis
benzoic acids, 172
salicylic acids, 172
folate synthetase inhibition
sulfontmides, 263
Free- Wilson method
comparison, 71
interrelationship, 43, 318
fungicidal activity, 157
imides, 235
para-Hydroxybenzoates, 141
graphical predictions, 368
hapten-antibody interaction
benzoates, 378
phenylarsonates, 378
hemoglobin binding, bovine
anilines, 212
phenol*, 212
hemolysis
review, 148
testosterones, 19
hill reaction inhibition
amlides, 143
ureas, 143
urethanes, 143
olendod Huckel MO method. 353
phetiyl glucosldes. 14)
hypnosis
barbiturates, 137, 167
insecticide synergism
benzodioxoles, 126
intercorrelation of physical parameters
substituent group selection, 69
LD50
acrylic esters, 226
alkylanilines, 81
benzenes, 46
methacrylic esters, 226
phenylphosphates, 275
phosphoramidates, 277
phosphorothioates, 275
leukemia chemotherapy
triazenyl imidazole carboxamides, 164
nitrosoureas, 164
linear free energy relationship, 42
lipoxy genase activity
alcohols, 239
macromotocular binding
. acetanilides,. 150
anilines, 150
metabolism of drugs
barbiturates, 167
lipophilicity, 132
sulfonamides, 101
metabolism of drugs by microsomes
selected organic compounds, 237
O-methyltransferase activity
catechots, 209
minimal statistical data required, 72
misuse
interpretation precautions, 45
MO parameters, 42
molar refractivity, 355
monoamine oxidate activity
beta-carbolines, 239
monoamine oxidue inhibition , " :
phenalkylhydrazines, 100, 100
phenoxyethyKcyclopropyOamino, 377 '
NAOH oxidation inhibition
barbiturates, 137
narcosis, frog muscle
selected organic compounds, 231
narcosis, tadpole
selected organic compounds, 23 1
neuraminidase inhibition
isoqumolines, 387
ovicide activity, correlation
bromoethylthiobenzenes, 192
oxidative phosphorylation uncoupling
benzimidazoles, 334
phenols, 96, 334, 374, 376
phenylanthranilic acids, 333
phenylhydrazones, 79
salicylanilides, 334
brain oxygen consumption inhibition
barbiturates, 137
parameter correlation
molar attraction constant,' 231
molecular weight, 231
parachor, 231
pularizability, 231
behzamltles, 1 53
parabolic dependence, 138
review, 138, 170, 232
phenethanolamine N-methyltransferase inhibition
benzylamines, 110
phosphorylation inhibition
phenols, 152
photosynthesis inhibition
azido(bisalkylamino)triazines. 111
plant growth inhibition
dichlorophenoxyacrylates, 373
plasma protein binding
sulfonamides, 103
polarizability, 42, 125
progestatkmal activity
progesterones, 356
protein binding
organic compounds, 178
reductase, rabbit kidney
acetophenones, 180
review, 124, 125, 131, 234, 274, 312
electronic parameters, 131
partition coefficients, 131, 146
pesticides, 98
proven applications, 127
substituent constants, 128
review, extensive, 339.
review, short, 301
sequential simplex modification, 368
serum albumin binding
penicillins, 20
serum albumin binding, bovine
phenols, 152, 376
selected compounds, 343
sigma constant squared, origin
tetracyclines, 48, 49
skin sentitization
alkyl catechols, 379
dinitrobenzenes, 379
16
-------
statistical chance correlations, 333
statistical interpretation
errors in published work, 246
succinate dehydrpgenase inhibition
dihydroxybenzoyl anilines, 80
sweetness
nitroanilines, 130
thrombin inhibition
benzamidines, 61
toxicity :
phenols,. 105, 374
toxicity 'synergism of carbaryl
alkylimidazoles, 352
tumor & brain localization ratio
phenyl boronic acids, 169
tumor growth delay
nitrosoureas, 266
haptea-antiboJy Interactkw
Hansch method
benzoates, 378
phenylarsonates. 378
steric parameter, correlation
benzoates, 378
phenylarsonates, 378
teaoglobin Madias, boftae
Hansch method
anilines, 212
phenols, 212
partition coefficients
anilines, 212
phenols, 212
henolyils
Hansch method
review, 148
testosterones, 19
lipophilicity
testosterones, 19
hexachlorocylodienes
insecticidal activity, 322
Hill reaction taWWHon
see also photosynthesis inhibition
acidity '
phenylamides, 90
Hansch method
anilidea, 143
ureas, 143
urethanes, 143
Huckel MO method
anilidea, 204
ureas, 204
plant
anilidet, 116
phenyl carbamates, 349
phenyl dimethylureas, 349
ureas, 116
hiftamines
cyclic adenosine monophosphate accumulation
• guinea pig brain slices, 188
x agonist activity
conformation, 112
histiunlnlc activity
stereoselactivity
drugs, 285
kmnatroatee*
acetylcholine receptor affinity
guinea pig, 7
HOMO CMStauta
analgetic activity
imidazolines, 276
konolytte coaatant
antibacterial activity
chloramphenicols, 154
derivation, 243
insecticide synergism
benzodioxoles, 126
pUnt hormoM activity
parachor
phenoxyacetic acids, 254
partition coefficients
phenoxyacetic acids, 254
Hackel MO
see also MO methods
Huckel MO charge parameter
antimalarial activity
Hansch method, 10, 11
HMkel MO-INDO i
haJlucinogenesis
amphetamines, 207
Hncktl MO BCtkod
analgetk activity
imidazolines, 276
antimalarial activity
naphthoquinones, 247, 383
bactericidal activity
nitrofurans, 183
carcinogenicity
aflatoxins, 177
choline acetyltransferase inhibition
styrylpyridines, 2
cholinesterase inhibition
N-methylcarbamates, 273 .
organophosphates, 273
conformation'
chlorinated ethanes, 245
decarboiylase inhibition
inddealkylamines. 121
haUucinogenesis
amphetamines, 121
hill reaction inhibition
aniUdes, 204
ureas, 204
metabolism of drugs
chlorinated ethanes, 245
muscle contraction
indokalkylamines, 121
neurone excitation
indolealkylamines, 121, 121
stomach muscle contraction
indokalkylamines, 206
Hnckd MO Mthod, extended, 3
antihypertensive activity
benzothiadizaines, 353.
bactericidal activity
chloramphenicols, 187
17
-------
CNS impulse transmission inhibition, interneuronal
gamma-aminobutyric acid analogues, 213
Hansch method, 353
reductase, rabbit kidney
acetophenones, 180
human
hallucinogen ems
amphetamines, 121, 207
metabolism of drugs
sulfonamides, 101
sweetness
anilines, 227
sugars, 227
hydrogen bonding
basicity, 106
nicotines, correlation, 106
partition coefficients
solvent system dependence, 230
hydrolysis
cholihesterase complexation
N-methylcarbamates, 279
LD50
phenylphosphates, 27}
phosphoramidates, 277
linear free energy relationship
bromoethylthiobenzenes, 193
partition coefficients
N-methylcarbamates, 392
sigma constant, correlation
N-methylcarbamates, 392
hydrolysis-enzymatic
Hansch method, 143
phcnyl glucosides, 14!
phenyl esters, 145
hydrophoblc binding
albumin, human
selected compounds, 311
RNA, yeast
selected compounds, 311
serum albumin binding
barbiturates, 99
sulfonamides, 99
sweetness, 76
hjroccines
acetylcholine receptor affinity
guinea pig, 7
hyoscyaminw
acetylcholine receptor affinity
guinea pig, 7
hfttereonjugitlon (ITWte, M|MrlltiOfl
steric parameter, 123
hypnotic
Hansch method
barbiturates, 137, 167
lipophilicity
parabolic dependence, 167, 167
mouse
barbiturates, 184
ureas, 184
partition coefficients
ureas, 184
surface tension, relative :
ureas, 184
hypoglycemk activity .
Free-Wilson method :
piperidinesulfamylsemicarbazides, 320
hypoteulvc activity
dog
sulfamoyl azides, 250
inldazole carboxamlde* trlazenyl
leukemia chemotherapy
Hansch method, 164
mouse, 164
jtaiduoto , alkyl
epoxidation of aldrin, inhibition in microsomes
Hansch method, 3S2
toxicity synergism of carbaryl
Hansch method, 352 \
jintiduolm, Mroxytataometliyl
choiinesterase reactivation, 122
jhniduofes,, jbenyl
antiviral activity, 233
InidazoliBM
analgetic activity
Hansch method, 276
HOMO constants, 276
Huckel MO method, 276
mouse, 276
partition coefficients, 276
imldw
fungicidal activity
Hansch method. 235
partition coefficients, 235
Impobe triMmiaiion
rat
acetylcholines, halo-, 57
beta-adrenergic activity
cat, 119
analgetic activity
Free-Wilson method, 95
mouse, 95
LD50
Free-Wilson method, 95
mouse, 95
ladudionet
antiviral activity, 375
decarboxylase inhibition
Huckel MO method, 121
muscle contraction
Huckel MO method, 121
neurone excitation
Huckel MO method, 121,
rat, 121
stomach muscle contraction
Huckel MO method, 206
resonance constants, 206
121
18
-------
partition coefficients
MO description, 308
Influenza vim •raMpUcrton liklWtion
benzimidazoles, 331
abmptfon, correlation
antibacterial activity
sulfonamides, 314
cholinesterase inhibition
organophosphates, 109
LD50
organophosphates, 109
. phosphoramidates, 277
tnacctlcidal activity
hexachlorocylodienes, 322
Inaectidde
fly
benzddioxoles, 126
Hansch method
benzodioxoles, 126
homolytic constant
benzodioxoles, 126
intercorreUrtkM of physical pansnatert
Hansch method
substituent group selection, 69
IntraniolecBlar hydropboMc koMUftg
partition coefficients, 136
Intrinsic activity
pharmacology, molecular, 4 .
lonizatlon potential
SCF MO method
phenothiazines, 23
kMlzation potential correlation
lecithin monolayer interaction
local anesthetic*, 181
iaenlcotlnauMe
dipole moments, 302
teoquinollnes .
neuraminidase inhibition
dipole moments, 387
Hansch method, 387
partition coefficients, 387
Iterative correlation procedure
biological activity
correlation with structure, 35
K nearest neighbor technlaM
classification into groups
sedatives, 58
tranquilizers, 58
K nearest neighbors
see pattern recognition
K region, presence of
carcinogenicity
aromatic hydrocarbons, pojynuclear, 294
kctowdfon«
antiviral activity, 375
KopeckyBecek Mtkod of S/A correlatkm
•Lose . '• •• •;-;^!, •
benzenes, 215 . . . :,
review - .; '•/.". "; •/ :
pesticides, 98 -'; >
L region, prtaence of '
carcinogenifeity ; . .
aromatic hydrocarbons, polynuclear, 294
LDIO :
mouse ;;
nitrosoureas, 164 •
LD50, 95
correlation with physical parameters .
organophosphates, 109 ' '
fly
N-methylcarbamates, 255
N-methylcarbamates, phenyl, 256, 257
organophosphates, 147 '
phenylphosphates, 275
phosphates, sulruipentafluorophenyl diethyl, 255
phosphorothioates, 275 . ;
Free-Wilson method <
acrylic esters, 226 ; !
benzenes, 46, 364 ,
tndanamines, 95 '
methacrylic esters, 226 :
(roup theory, relationship .
selected organic compounds, 365 .
Hansch method •
acrylic esters, 226 .; ' . •
alkylanilines, 81 . • .'
benzenes, 46 : " ::
methacrylic esters, 226 ' ,
phenylphosphates, 275 .
phosphoramidates, 277
phosphorothioates, 275
hydrolysit
phenylphosphates, 275 ...
phosphoramidates, 277
insect , .
organophosphates, 109
phosphoramidates, 277 .
Kopecky-Bocek method of S/A correlation
benzenes, 215
lipophilkity
alkylanilines, 81
mosquito larvae
bentok acids, 147, 173
N-methylcarbamates, phenyl, 256, 257
mouse, 225 } .
aceiaminophenol esters, 77 '
acrylic esters, 226
barbiturates, 184
benienes, 46, 215, 364
indanamines, 95 j
methacrylic esters, 226
pargyUnes, 330
phenethanolamines, 225
.thienodiazepines, 272
thioureas, 240
ureas, 184, 240
partition coefficients
phenylphosphates, 275
-------
rat, 381
N-acyltriamines, 381
alkylanilines, 81 s
carbamaies, bis-(l-azirindinyl)phosphinyl, 381
nitrogen mustards, 381
oxazaphosphbrine-2-oxides, 362, 362
selected organic compounds, 365
sigma constant
phosphates, sulfurpentafluorophenyl diethyl, 253
sigma constant, correlation
benzoic acids, 173
symmetry, correlation with
selected organic compounds, 365
lecithin monolnyer Interaction
local anesthetics
ionization potential correlation, 181
mole refractivity, 181
leueomycini
antibacterial activity
Hansch method, 385
partition coefficients, 385
leukemia .
carcinostagis, 90
leukemia chemotherapy
sec also antitumor activity
Hansch method
triazenyl imidaiole carboxamides, 164
nitrosoureas, 164
mouse
triazenyl imidazole carboxamides, 164
nitrosoureas, 164
lenkotoxicity
rat
oxazaphosphorine-2-oxides, 362, 362
lincomycins
antibacterial activity
Hansch method, 385
partition coefficients, 385
linear free energy relationship
Hansch method, 42
hydrolysis
bromoethylthiobenzenes, 193
partition coefficients
water solubility, 163
theoretical basis, 354
toxicity
review, 87
Upophiliclty
see also partition coefficients
see also pi constants
bactericidal activity
cephalosporin, 18
penicillins, 18
ganglionic blocking activity
decalins, bis(dimethylamino), 351
hemolysis
testosterones, 19
hypnosis
parabolic dependence, 167, 167
LD50
alkyltnilines, 81
metabolism of drugs .
Hansch method, 132 -,
narcosis ' '~;
selected organic compounds, 258
oxidative phosphorylation uncoupling ;
phenols, 179
UpopUUdty, relationship to
permeability across biological membranes
non-steady-state model, 283 : '.',. ••• ,'•:•
UpoxygCMM actlrity
Hansch method
alcohols,' 239
antimicrobial activity, 281
macromolecolar binding
Hansch method .
acetanilides, 150
anilines, 150
maJeimides
d-amino acid oxidase activity
Hansch method, 239, 239
sedation
rat, 244
tranquiliiation
rat, 244
nundelic acids
amino acid binding, 30
membrane permeability
kinetic model
alkyl homologs, 357 ' '
partition coefficients
barbiturates, 113
aminobenzoate esters, 92 •
steady state model, 92
probabilistic model
partition coefficients, 386
metabolism of drap, 167
Hansch method
barbiturates, 167
lipophilicity, 132
sulfbnamides, 101
Huckel MO method
chlorinated ethanes, 245
human
sulfonamides, 101
rat
sulfonamides, 101
review, 31 ,
metaboliua of drugs by mlcrosoiaei
Hansch method
selected organic compounds, 237
partition coefficients
selected'organic compounds, 237
metal comptexatioB
phenothiazines, 25 .
methacryUc esten
LD50
Free-Wilson method, 226
Hansch method, 226
20
-------
mouse, 226
N-Mthytea
cholinesterase complexation
hydrolysis, 279
sigma constants, 279
cholinesterase inhibition, 255
Huckel MO method. 273
hydrolysis
partition coefficients, 392
sigma constant, correlation, 392
LDJO
fly, 253
Ninethylcarbamates, pkcnyl
cholinesterase inhibition, 256, 257
LD50
fly. 256, 257
mosquito larvae, 2S6, 257
O-atttkyltraMfertte activity
Hansch method
catechols, 209
mite
ovicide activity, correlation
bromoethylthiobenzenes, 192
MOdeecriptiwi
partition coefficients
aromatic compounds, 308 .
benzenes, 308
indotes, 308
MO method
see also CNDO
see also Huckel MO
seePCIILO
pharmaoology, molecular
review. 120
review, 274
MO method IB S/A correlations
review, short, 301
MO parameters
drug-receptor interaction
Hansch method. 41
Hansch method, 42
motel vohuMS
acetylcholine receptor affinity
quaternary ammonium salts, 9
malar attraction constant
antibacterial activity
penicillins, 282
Hansch method
parameter correlation, 231
in structure-activity correlations, 282
molar refractiTity
anti-inflammatory activity
cortisols, 355
Hansch method, 355
N-alkyl nicotinamides, 295
nipecotaraides, 304
progestational activity
progesterones, 356
values for selected compounds, 161
lecithin monolayer interaction
local anesthetics, 181
molar volume
additivity in homologs, 85
structural influence, 85
skin seniitization
alkyl catechols, 379
dinitrobenzenes, 379
•otoralar orbltals
**CNCO
see Huckel MO
MvPCILO
•otocvlv weight,
Hansch method
parameter correlation, 231
i oxMaae activity
Hansch method
beta-carbolines, 239
! oxidate InklMtie*
beta-carbdines, 185
discriminant analysis
amiaoindans, 248
amtnotetralins, 248
Hansch method
phenalkylhydrazines, 100, 100
phenoxyethyl(cyclopropyl)amines, 377
mouse
pargylines, 330
rat
cyclopropylamines, 358 .
steric parameter, correlation
phenoxyethyl(cyclopropyl)amines, 377
Mialgetlu wtlviiy
Hansch method, 224
partition coefficients, 224
rabbit, 224
review, 83
awe^aito larvae
LD50
benzotc acids, 147, 173
N-mcthylcarbamates, phenyl, 256, 257
amylase secretion
catecholamines, 388
analgetic activity
imidatolines, 276
indanamines, 95
pethklines, 14, 15
anesthetic activity
ethers, 115
antidepressant activity
pnenothiazines, 202
antileukemic activity
benzophenanthridine alkaloids, 326
antimalarial activity
phenylquinolyl carbinols, 70
brain vs brain tumor penetration
phenylboronic acids, 323
CNS activity
selected organic compounds, 241
21
-------
CNS depressant activity '
terpenyl carbamates, 261
thienodiazepines, 272
thioureas, 240
ureas, 240
cytotoxicity
benzophenanthridine alkaloids, 326
hypnosis
barbiturates, 184
ureas, 184
LD10
nitrosoureas, 164
LD50, 225
acetaminophenol esters, 77
acrylic esters, 226
barbiturates, 184
benzenes, 46, 211, 364
indanamines, 9)
methacrylic esters, 226
pargylines, 330
phenethanolamines, 225
thienodiazepines, 272
thioureas, 240
ureas, 184, 240
leukemia chemotherapy
triaienyl imidazole carboxamides, 164
nitrosoureas, 164
monoamine oxidase inhibition
pargylines, 330
mutagenicity
bis-aziridinyl alkylaminophosphine oxides, 325
bis-aziridinyl alkylphosphine oxides, 324
mydriasis
alkylaminoalkylbenzilates, 94
neuroleptic activity
chlorpromazines, 201
toxicity
benzenes, 24
nitrofurans, 190
selected organic compounds, 241
tumor & brain localization ratio
phenyl boronic acids, 169
multiple regression
see Free-Wilson method
see Hansch method
multiplied group searching
WLN
decoding, 229
muwarine activity
guinea pig !
acetylcholines, halo-, 57
muscle contraction
frog
quaternary amines, 4
Huckel MO method
indolealkylamines, 121
mutagenicity
mouse
bis-aziridinyl alkylaminophosphine oxides, 325
bis-anridinyl alkylphosphine oxides, 324
mydriasi*
mouse
alkylaminoalkylbenzilates, 94
myotropic activity
ethers, 174 : ,
NADH oxMation Inhibition
Hansch method
barbiturates, 137
naphthoqalaoMS :
antimalarial activity .
Htntch method, 247, 383
Huckel MO method, 247, 383
partition coefficients, 383
redox potential, 247 .
electron transport inhibition
Hansch method, 338
partition coefficients, 338
partition coefficients, 74
MphthyTMtoM
diuretic activity
rat, 176
narcosis
alcohols, 148
lipophilicity
selected organic compounds, 258
mammals
thermodynamic properties, correlation with, 369
review, 270
aarcotli, frog muscle
Hansch method
selected organic compounds, 231
narcosis, tadpole
Hansch method
selected organic compounds, 231
neuramlBMaM Inhibition
dipole moments
isoquinolines, 387
Hansch method
isoquinolines, 387
partition coefficients
isoquinolines, 387
•euroteptk activity
dog
chlorpromazines, 201
mouse
chlorpromazines, 201
rat
butyrophenones, 193
chlorpromazines, 195, 201
Murone excitation
Huckel MO method
indolealkylamines, 121, 121
rat, 121
indolealkylamines, 121
nicotiitamMM
dipole moments, 303
|-alpha-glycerophosphate dehydrogenase inhibition, 214
group dipole moments, 295, 298
molar refractivity, 295
Blcotine activity '•
frog
acetylcholines, halo-, 57
-------
•Icotines, correlatlot
basicity :
hydrogen bonding index, 106
sigma star constants, 106
pi constants
sigma (tar constants, 106
nlpcotuMw
dipole moments, 304
molar refractivity, 304
b«ta-BitroaIkMylb«uwe»
partition coefficients, 74
•ttrouillaei .
sweetness' •
basicity, 228
nUrobeoMM nbttitiMnt rates
pi constants, 104
•itrobtnzoferans
antibacterial activity, 286
•itroraraldekyde smUcarbasoa*
antibacterial activity, 73
ntoorenuis •
bactericidal activity
electron affinity, 183
Huckel MO method, 183
schistosomicide, 190, 307
toxicity
mouse, 190
nltroftn i
. anti-tumor activity
Hansch method, 381
LD50
rat, 381
altroheterocycto
phosphorylase phosphatase inhibition
conformation, 306
schistosomicide.
conformation, 306
•ttropkenoto
antibacterial activity
Hansch method. 96, 96
•ttropkenyl wtera
chymotrypsin hydrolysis
Hansch method. 134
beta-adrtnoceptor blocking
guinea pig, 5
rabbit, 5
rat, 5
receptor site conformation,
sdtrosoureat
LD10
mouse, 164
leukemia chemotherapy
Hansch method, 164
mouse, 164
tumor growth delay
Hansch method, 266
partition coefficients, 266
non-electrolytes
plant cells
permeability, 63
Mmllaear
set also pattern recognition
pattern recognition
classification into groups, 217
repueitriM
CNDO M0> method
conformation, 208
storage - . •
CNDO/INDO MO methods
phenetl)ylamines, polyhydroxy-, 210
conformation
phenethylamines, polyhydroxy-, 210
apt
InlUWtloa
Free-Wilson method
phenethylamines, 6
•*« :' . . ' •'.. •" '
phenethylamines, 6 . . ;
cholinesterase inhibition
correlation with physical parameters, 109
Hansch method, 108, 129
Huckel MO method., 144. 273
insect, 109
review, 108
steric parameter, 129
LD50
correlation with physical parameters, 109
fly, 147
insect. 109
pesticide uptake
eggs of large milkweed bug, 29
ovtdde
comUttoa
alkylation, rate of .
bromoethylthiobenzenes, • 194
Hansch method
bromoethylthiobenzenes, 192
mite
bromoethylthiobenzenes, 192
osathilis
antifungal activity, 321
7 niUns
antitumor activity
rat, 362,1362
rodent, 363, 363
: biological activity
rodent, 363, 363
! LD50
rat. 362, 362
leukotoxicity
rat, 362. 362
oitfati ?e ajMaykorytatioa
acidity
phtnols, 179
acidity constants
phenols, 376
phteylanthraailic acids, 333
acidity constants, correlation with
phtnob, 374
-------
electronic substituent constant of Seth-Paul/Vah Duyse
334
benzimidazoles, 334
phenob, 334
Hansch method
benzimidazoles, 334
phenob, 96, 334, 374, 376
phenylanthranilic acids, 333
phenylhydrazones, 79
salicylanilides, 334
lipophilicity
phenols, 179
partition coefficients
phenylanthranilic acids, 333
phenylhydrazones, 79
rat
phenols, 96
phenylhydrazones, 79
oxygen contraption Inhibition fat brain
Hansch method
barbiturates, 137
rat
barbiturates, 137
parabolic dependence
hypnosis
lipophilicity, 167, 167
partition coefficients
Hansch method, 138
parachor
additivity in homologues
structural influence, 86
bactericidal activity
chloramphenicols, 234
Hansch method
parameter correlation, 231
plant hormone activity
phenoxyacetic acids, 254
parameter correlation
Hansch method
molar attraction constant, 231
molecular weight, 231
parachor, 231
polarizability, 231
parasite inhflritioa
Free-Wilson method
chloroquines, 189
pargyline*
LD50
mouse, 330
monoamine oxidase inhibition
mouse, 330
partition coefficients .
see also lipophilicity
see also pi constants
acetaminophenol esters, 77
alcohol-water systems
selected compounds, 62
. analgetic activity
imidazolines, 276
morphines, '224
anesthetic activity
ethers, 115
antibacterial activity
clindamysins, 385
erythromycin esters, 249
erythromycins, 384 " . :
leucomycins, 385 .'..;
lincomycins, 385
selected organic compound;, 238
antifungal activity . : : :
trichlofomethylthioheterocyles, 390 •; '.. •
antihypertensive activity •'•'.'•;,".
benzothiadiazine dioxides, 336 .-'•;;. -,'-.
antimalarial activity '. .
naphthoquinones, 383 .
auxin activity ; ' . /.'. '•• '
phenoxyacetic acids, 159, J60 „'•
bactericidal activity
chloramphenicols, 160, 160, 254
trifluoromethylphenols, 75 .
benzothiadiazine dioxides, 337
brain vs brain tumor penetration
phenylboronic acids, 323 •
calculation of unknowns, 232
carbonic anhydrase inhibition
sulfonamides, 203
chromatographk (TLC) Rm
penicillins, 17
determination method in benzene/water, 350
dihydrofolate reductase binding .
pyrimidines, 264 . t
triazines, 264
electron transport inhibition •
bis(dichloroacetyl)diamines, 338
naphthoquinones, 338
electronic indices
Del Re MO, modified, 47
fungicidil activity
imides, 235 ;
gastric secretion inhibition . '
aminobenzisothiazoles, 37 '
Hansch method, 125
benzamides, 153
review, 131, 146, 170
hemoglobin binding, bovine • I
anilines, 212
phenols, 212
plant hormone activity
phenoxyacetic acids, 254
hydrolysis
N-methylcarbamates, 392
hypnosis
ureas, 184
intramolecular hydrophobic bonding influence, 136
LD50
phenylphosphates, 275
membrane permeability
barbiturates, 113
aminobenzoate esters, 92
probabilistic model, 386
steady state model, 92
metabolism of drugs by microsomes
selected organic compounds, 237
24
-------
MO description
aromatic compounds, 308
benzenes, 308
indoles. 308
naphthoquinones, 74
neuraminidase inhibition
ispquinolines, 387
beta-nitroalkenylbenzenes, 74
oxidative phosphorylation uncoupling
phenylanthranilic acids, 333
phenylhydrazones, 79
parabolic dependence
Hansch method, 138
permeability across biological membranes
drugs, 305
permeability of blood-aqueous barrier
thioureas, 310
permeation of cell
plant, 262
pesticide Uptake
eggs of large milkweed bug, 29
plant cells
permeability, 63
plant growth inhibition
dichlorophenoxyacrylates, 373
review
Hansch method, 138, 232
values for many compounds, 232
salicylic esters, 78
serum albumin binding, 20
serum albumin binding, bovine
phenols, 376
selected compounds, 343
skin sensitization
alkyl catechols, 379
dinitrobenzenes, 379
solvent system dependence
hydrogen bonding classifications, 230
sweetness
aminonitrobenzenes, 76
toxicity
selected organic compounds, 253
tritylamines, 28
tumor growth delay
nitrosoureas, 266
uses, 232
values for selected compounds,. 136, 165
water solubility
linear free energy relationship, 163
partition coefficient*. dmmatoarsfhlc
pi constant correlation
arylbutyric acids, 221
arylpropionic acids, 221
cinnamic acids, 221
dissociation, importance of, 221
phenols. 221
gelatia acsria coacerrate
antimicrobials
determination, 198
phenylmercuric nitrate, 197
pattern rccotBtttea
see also cluster analysis
see also Fisher discriminant
see akoK nearest neighbors
see also nonlinear mapping
classification into groups
barbiturates. SB j
cluster analysis, 217
nonlinear mapping, 217
phenothiazines, 58
preprocessing, 217
mathematical definition, 360
pattern vectors, effects, 360
• tumor weight inhibition
purine nucleosides, 218
pyrimidine nucleosides, 218
patten vector*, effects
pattern recognition, 360
PCILO
see also MO methods
PCILO MO method
CNS activity
acetylcholine and agonists, 293
conformation
acetylcholines, 290, 292
benzoyloxyalkylamines, 65
pheitethyiamines, 291
phenoxyethyl amine, 64
penetration of catlde
cockroach
pesticides, 280
skin tensile strength
rat, 89
pmidlUM
antibacterial activity
Hansch method, 142
molar attraction constant, 282
sigma constant, correlation, 173'
bactericidal activity, 175
Hansch method, 18, 166
lipophilicity, 18
partition coefficients
chromatographic (TLC) Rm, 17
serum albumin binding
Hansch method, 20
structural fragment analysis, 359
permeability
plant cells
non-electrolytes, 63
partition coefficients, 63
psrsMsMlity across Mologicsl BMSBSMUMS
drugs
partition coefficients, 305
review, 305
lipophilicity, relationship to
non-steady-state model, 283
ptramslHty comstsMts
permeability of blood-aqueous barrier
thioureas', 310
par ••ability
barrier
partition coefficients
thioureas, 310
permeability' constants
thioureas, 310
21
-------
rabbit
thioureas, 310
permeation of cell
plant
partition coefficients, 262
thyroid peroxMase Inhibition
propylthiouracils, 242
pesticide uptake
eggs of large milkweed bug
carbamates, 29
chlorinated hydrocarbons, 29 .
organophosphates, 29
partition coefficients, 29
petticides
Free-Wilson method
review, 98
Hansch method
review, 98
Kopecky-Bocek method of S/A correlation
review, 98
penetration of cuticle
cockroach, 280
pethWlne
analgetic activity
animal, 13
conformation, 13
pethMlnet
analgetic activity
conformation, 14, 15
mouse, 14, 15
pharmacology, molecular
intrinsic activity, 4 '
MO method
review, 120
review, 251
structural information, 344
substrate affinity
quaternary amines, 4
pbenalkylhydrazinet
monoamine oxidase inhibition
Hansch method, 100, 100
pbenanthrene amino alcohols
antimalarial activity, 55, 56
phcunthreiMMlnoalkykarbiBol*
antimalarial activity
Free-Wilson method, 366
Hansch method, 366
phenethanolamine N-methyltranffenwe activity, 102
phenethanolamlne N-methyltransferase inhibition
Hansch method
benzyhunines, 110
pnenethanolamines
LD50
mouse, 225
sympathomimetic activity inhibition
dog, 225
guinea pig, 225
phenethylamines ;
adrenergic activity, 309
adrenergic blocking activity •
Free-Wilson method, 43
rat, 43
amine oxidate activity, rabbit liver
acidity constants, 158
Hansch method, 158
conformation
PCILO MO method, 291
dopamine beta-hydroxylase activity
Free-Wilson method, 102
norepinephrine-uptake inhibition
Free-Wilson method, 6
rat, 6
phenethyluifaMs, halo-
adrenergic blocking activity
i acidity constants, 156
I field A resonance constants, corrected, 341
! Hansch method, 156, 341
| Van der Waals radii, 341
j antihistamine activity
I guinea pig, 118
I antipressor activity
> rat, 118
j
phenethylaaiaes, polyhydroxy-
norepincphrine storage
CNDO/INDO MO methods, 210
conformation, 210
phenolic i
cyclic adenosine monophosphste accumulation
guinea pig brain slices, 188
phenolic Moleethylaaiiies
cyclic adenosine monophosphate accumulation
guinea pig brain slices, 188
•faeaob
acidity
Hansch method, 96, 105
antibacterial activity, 327
acidity constants, correlation with, 374
Hansch method, 374
cytochrome interconversion
pi constants, 191
fungicidal activity, 21
acidity, 22
solubility, 22
hemoglobin binding, bovine
Hansch method, 212
partition coefficients, 212
oxidative pliosphorylation uncoupling
acidity, 179
acidity constants, 376
acidity constants, correlation with, 374
electronic substituent constant of Seth-Paul/Van Duyse
334
Haasch method, 96, 334, 374, 376
lipophilicity, 179
rat, 96
partition coefficients, chromatographic
pi constant correlation, 221
phospnorylation inhibition
Hansch method, 152
yeast, 152
. /! -
36
-------
serum albumin!binding, bovine
acidity constants, 376
Hansch; method, 152, 376
partition coefficients, 376
toxicity .;..'.
acidity constants, correlation with, 374
Hansch method, 105, 374
plant, 96, 105, 374
phenols substitarat values
pi constants, 104
pheaothlaziM tsosteres
amipsychotic activity, correlation, 315
glutamate dehydrogenase inhibition, 315
phuotMuina
antidepressant activity
mouse; 202 •
rat, 202
classification into groups
pattern recognition, 58
structural fragments, 58
metal completion, 25
SCF MO method
ionizatkm potential, 23
spectral data, 346
tranquilization, 117
phenoxyacetlc acid mbctltitcnt value*
pi constants, 104
phenoxyacetlc acids
auxin activity
Hansch method. 97, 159, 160
partition coefficients, 159, 160
plant hormone activity
parachor, 254
partition coefficients, 254
phtDoxyethyl indue
PC1LO MO method
conformation, 64
sympathomifiietic activity
conformation, 64
pheM»yethyl(cyclopropyl)aalnes
monoamine oxidase inhibition
Hansch method, 377
steric parameter, correlation, 377
ptonyl dlmethylurttt
Hill reaction inhibition
plant. 349
pbenyl eaters
hydrolysis-enzymatic, 145
phcnylacetic add Mbrttuent valves
pi constants, 104
piMnylacetic acids
auxin activity
Hansch method, 97, 268
•keaylamldM
Hill reaction inhibition
acidity, 50
phenylantanwlllc acids
j oxidative phosphorylation uncoupling
t acidity constants, 333 .
Hansch method. 333
' partition coefficients, 333 ; • ..
pheaylarsoMtes .'•;•.
hapten-antibpdy interaction •
Hansch method, 378 ,
steric parameter, correlation, 378!
pbenylboroBte acids
brain vs brain tumor penetration
; Hansch method, 169
mouse, 169,323 ;:
partition coefficients, 323 .
pheavlhytfraMwes ;; . •
oxidative phosphorylation uncoupling
Hansch method, 79
partition coefficients, 79 ,
rat, 79 :'v.'-.'..\ '-.V:
(rimylMtrciiric nitrate <
partitioning in gelatin-acacia coacervate system, 197
pheaylphoaaiutes
LD50
fly, 275 ;
Hanach method, 275
hydrolysis, 275
partition coefficients, 275
antimalarial activity
Free-Wilson method, 70
mouse, 70
pkotyltkhMtkylaolM
sympathomimetic activity
conformation, 64
cholinesterase inhibition
fly. 255
sigma constant, 255
LD50 «
fly, 255
sigma constant, 255
l dtethyl
orgiwo
cholinesterase inhibition
Hansch method, 144
cholinesterase inhibition
fly. 277.
Hansch method, 144,
LD50
Hansch method, 277
hydrolysis, 277
insect, 277
277
-------
phoipborothloates
LD50
fly. 275
Hanach method, 275
phosphorylase phosphatase inhibition
conformation
nitroheterocycles, 306
phosphorylation inhibition
Hansch method
phenols, 152
yeast, 152
phenols, 152
photosynthesis inhibition
see also Hill reaction inhibition
Hansch method
azido(bisalkylamino)triazines, 1 1 1
plant
azido(bisalkylaminoXriaztnes, 1 1 1
physlcochemical properties, influence
drug-receptor interaction, 93
pi constant correlation
partition coefficients, chromatographic
arylbutyric acids, 221
arylpropionic acids, 221
cinnamic acids, 221
dissociation, importance of, 221
phenols, 221
pi constants
see also lipophilicity
see also partition coefficients
aniline substituent values, 104
benzene substituent values, 104
benzoic acid substituent values, 104
benzyl alcohol substituent values, 104
chaotropy
haloacetates, 140
cytochrome interconversion
anilines, 191
phenols, 191
nitrobenzene substituent values, 104
phenols substituent values, 104
phenoxyacetic acid substituent values, 104
phenylacetic acid substituent values, 104
sigma star constants
nicotines, correlation, 106
i milling), Ml
values for selected compounds, 161
piperidlnesulfamylieniicarbazides
hypoglycemic activity
Free-Wilson method, 320
plant
cytokintn activity
adenosines, 90
growth inhibition
amines, quaternary, 278
growth regulation
carboxylic acids, 269
cinnamic acids, 340
review, 345 . . -
structure-activity relationships, 345
hill reaction inhibition : • .
anilkte, ,116
phenyl carbamates, 349 .
phenyl dimethylureas, 349 : ;
ureas, 116 •
permeation of cell
partition coefficients, 262
photosynthesis inhibition
azido(bisalkylamino)triazines, 111
toxicity
phenols, 96, 105, 374
plant cells :.-.'
permeability
non-electrolytes, 63
partition coefficients, 63
plant growth Inhibition
dichlorophenoxyacrylates, 373
Hansch method, 373
partition coefficients, 373
plasma, human :
cholinesterase inhibition
alkyl-3-carbamoylpiperidines, 12
plasma protein binding < \
Hansch method
sulfonamides, 103
•Jasmin lahiWtioB, 61
platinum complexes
antitumor activity, 186
polarixaMUty
antibacterial activity
chloramphenicols, 40
Hansch method, 42, 125
parameter correlation, 231
polynuclear aromatk hydrocarbons
see aromatic hydrocarbons, polynuclear
preprocessing ,
pattern recognition
classification into groups, 217
probabilistic model
membrane permeability
procyclldllie
anticonvulsant activity
conformation, 39
progesUtkMial activity
field effect constants
progesterones, 356
Hansch method
progesterones, 356
molar refractivity
progesterones, 356
progestenwes
progesutional activity
fieU effect constants, 356
Hanach method, 356
molar refractivity, 356
-------
protein Mndiag
Hansch method •
organic compounds, 178
protein Undine cmstMts
carbonic anhydrase inhibition
sulfonamides, 203
puriat nucleoaHu
tumor weight inhibition
pattern recognition, 218
pyrlBidiae McleoaMes
tumor weight inhibition
pattern recognition, 218
pyrtaldines
dihydrofolate reductase binding
Hansch method, 264
partition coefficients, 264
hydroxyqulMUBM
antiviral activity, 233
-------
tumor inhibitory activity
solapalmitines, 223
receptor site conformation
beta-adrenoceptor blocking
nitrophenylisopropylaminoethanols, 5
receptor sites
structure-activity relationships, 1
redo* potential
antimalarial activity
naphthoquinones, 247
reductase, rabbit kidney
CNDO MO methods
acetophenones, 180
Hansch method
acetophenones, 180
extended Huckel MO method
acetophenones, 180
resonance constants
stomach muscle contraction
indolealkylamines, 206
review
analgetic activity
morphines, 83
antibacterial activity
Hansch method, 380
cholinesterase inhibition
amides, 299
carbamoylpiperidinoalkanes, 299
organopnosphates, 108
drug design
Hansch method, 133
Free-Wilson method, 274, 312
pesticides, 98
growth regulation
plant, 345 '
Hansch method, 124, 125, 131, 234, 274, 312, 339
electronic parameters, 131
partition coefficients, 131, 146
pesticides, 98
proven applications, 127
substituent constants, 128
hemolysis
Hansch method, 148
Kopecky-Bocek method of S/A correlation
pesticides, 98
metabolism of drugs, 31
MO method, 274
narcosis, 270
partition coefficients
Hansch method, 138, 170, 232
values for many compounds, 232
permeability across biological membranes
drugs, 305
pharmacology, molecular, 251
MO method, 120
structural information, 344
steric parameter, 317
structure-activity relationships, 1
toxicity
linear free energy relationship, 87
review, snort
Free-Wilson method, 301
Hansch method, 301
MO method in S/A correlations, 301
RNA, yeast ,
hydrophobic binding
selected compounds, 311
rodent
antitumor activity
oxazaphosphorine-2-oxides, 363, 363
biological activity
oxazaphosphorine-2-oxides, 363, 363
carcinogenicity
aromatic hydrocarbons, polynuclear, 147
dimethylaminoazobenzenes, 147
thyroxine activity
thyroxines, 147
salleylanilides'
oxidative phosphorylation uncoupling
Hansch method, 334
sallcylate blood level
dog
salicylic esters, 78
salicylic adds
(ibrindysis
Hansch method, 172
salicylic esters
partition coefficients, 78
salicylate blood level
dog, 78
SCF-INDO MO charge densities, correlation
sigma constants
benzole acids, 205
SCF MO method
ionization potential
phenothiazines, 23
schistoBomicide
conformation
nitroheterocycles, 306
nitrofurans, 190, 307
sea orchid
egg cell division inhibition
barbiturates, 137
sedation
rat '
malonamates, 244
sedatives
classification into groups
cluster analysis, 58
Fisher discriminant, 58
K nearest neighbor technique, 58
structural fragments, 58
sequential simplex modification
Hansch method, 368
serum albumin binding
Hanscb method
penicillins, 20
30
-------
hydrophobk binding
barbiturate*, 99
sulfonamides, 99
partition coefficients, 20
structural fragment analysis
penicillins, 3)9
albrate Madas,
acidity, constants
phenols, 376
Hansch method
phenols, 132, 376
selected compounds, 343
partition coefficients
phenols, 376
selected compounds, 343
iM* effects, computer sorting
extrapyramidal syndrome
structural features of drugs, 236
skin sensitization
selected organic compounds, 379, 379
constut,
antibacterial activity
behzenesulfonamides, 313
penicillins, 173
Bulfonamldes, 44
hydrolysis
N-methylcarbamates, 392
LD50
benzole acids, 173
constaat squared, origin
Hansch method
tetracyclines, 48, 49
dl^ttti constuti
see aJso electronic parameters
antibacterial activity
selected organic compounds, 238
cholinesterase comptexation .
N-methylcarbamates, 279
cholinesterase inhibition
phosphates, sulfurpentafluqrophenyl diethyl, 253
interrelationship, 131
LD50 . '"
phosphates, sulftirpentafluorophenyl diethyl, 253
SCF-INDO MO charge densities, correlation
benzok acids, 203
selected values, 32
values for selected compounds. 161
liana plus constants
derivation, 32
sweetness
nitroanilines, 130
itema star constant*, 317
acidity constants
correlation, 136
basicity .
nicotines, correlation, 106
pi constants
nicotines, correlation, 106
SK * F fragntnt code*
antiarthrytk activity
subslructural features, correlation, 367
skin Miuitixatlon
Hansch method '
alkyl catechols, 379 ''••'.
dinitrobenzenes, 379
molar volume
alkyl cat,echols, 379
dinitrobenzenes, 379
partition coefficients
alkyl catechols, 379
dinitrobenzenes, 379
side effects, computer sorting
selected organic compounds, 379, 379.
skia tensile strength
rat
penicillamines, 89
toxicity
tritylamines, 28 .
sodl«m alkyl snlfatet
antibacterial activity
Hansch method, 148
•otepataHlMi
tumor inhibitory activity
rat, 223
MlibUlty
fungicidal activity
phenols, 22
aoheat tjtttm deyufcace
partition coefficients
hydrogen bonding classifications, 230
phenothiazines, 346
statistical chance correlation*
Hansch method, 333
statistical Interpretation
Hansch method
errors in published work, 246
DNA biosynthesis inhibition
drug interactions, 348
membrane permeability
partition coefficients, 92
•on-ateadyrtate
permeability across biological membranes
lipophilicity, relationship tc, 283
stereo»el«ctivlry
adrenergk activity
drugs, 283
analgesic activity
drugs. 283
cholinergic activity
drugs, 283
histaminic activity
drugs, 283
ateric parasMter
cholinesterase inhibition
organophosphates, 129
hyperconjugation effects, separation, 123
review, 317
Van der Waals radii, dependence. 52, 129
31
-------
sterlc parameter, correlation
antihisUmine activity
diphenhydramines, 377
hapten-antibody interaction
benzoates, 378 '
phenyUrsonates, 378
monoamine oxidase inhibition
phenoxyethyl(cyclopropyl)amines, 377
Van der Waals radii, 377
ortao iteric parameter
benzoates, hydrolysis
electronic dependence, S3
benzoates, saponification
electronic dependence, 54
benzoates, transesterification
electronic dependence, 54
benzoic acids, esterification
electronic dependence, 53
electronic dependence, 52
Merle parameter, Taft-Hancock
composition, 107
stomach muscle contraction
Huckel MO method
indolealkylamines, 206
resonance constants
indolealkylamines, 206
structural features of drugs
extrapyramidal syndrome
side effects, computer sorting, 236
structural fragment analysis
serum albumin binding
penicillins, 359
structural fragments
classification into groups
barbiturates, 58
phenothiazines, 58
sedatives, 58
tranquilizers, 58
structural Influence
molar volume
additivity in homologs, 85
parachor
additivity in homologues, 86
structural Information
chemical-biological activities
computer slor»|«, 82
i pharmacology, molecular, )44
structure-activity data
data base, computerized
standardization, 155
WLN encoding & retrieval, 155
structure-activity relationships
equilibrium model, 182
growth regulation
plant, 345
receptor sites, 1 j
review, 1
styrylpyridlnes
choline acetyltransferase inhibition
Hansch method, 2 • . . . ":
Huckel, MO method, 2
rat, 2
substituent constants
review :
Hansch method, 128
substituent group selection
Hansch method
Intel-correlation of physical parameters, 69
substrate affinity .
pharmacology, molecular
quaternary amines, 4
mediate dehydrogenase inhibition
Hansch method
dihydroxybenzoyl anilines, 80
pi constants
dihydroxybenzoyl anilines, 80
sugars
sweetness
human, 227 :
sulfa drugs
antibacterials
dosage regimen calculation, 219, 220
solfamoyl asides < .
hypotensive activity
dog, 250
sulfanilamMes
antibacterial activity
acid dissociation, 16 .
snlfonamides
antibacterial activity
acidity, 66
Hansch method, 103, 263
infrared absorption, correlation, 314
sigma .constant, correlation, 44
carbonic anhydrase activity
Hansch method, 239, 239
carbonic anhydrase inhibition
acidity constants, 203
Hansch method, 203
partitiomcoefficients, 203
protein-binding constants, 203
valence-force constants, 203
excretion
mil Ilil. Mil
fotate synthetase Inhibition
Hansch method, 263
metabolism of drugs
Hansch method, 101
human, 101
rat, 101
plasma protein binding ;
Hansch method, 103
serum albumin binding
hydrophobic binding, 99
surface tenaioa, relative
hypnosis
ureas, 184
-------
sweetness
basicity
nitroanilines, 228
Hansch method
nitroanilines, 130
human
anilines, 227
sugars, 227
hydrophobk binding, 76
partition coefficients
aminonitrobenzenes, 76
sigma plus constants
nitroanilines, 130
symmetry, correlation with
LD50
selected organic compounds, 365
•yM|WthomlM»tic activity
conformation
anilinoethylamine, 64
phenoxyethyl amine, 64
phenylthiqethylamine, 64
syMpathomlnetic activity Inhibition
dog
phenethanolamines, 225
guinea pig
phenethanolamines, 22S
terfcnoates, nortestoiteroae
anabolic activity
rat, 260
tcrpenyl cartMMMtes '
CNS depressant activity
mouse, 261
teftofteronet
hemolysig
Hansch method, 19
lipophilicity, 19
tetncycline*
antibacterial activity
Free- Wilson method, 48, 95
Hansch method, 48, 49
sigma constant squared, origin
Hansch method, 48, 49
te*rahydrocartazol«f
trypanocide activity, 284
tetrahydrol*o«iiMllaea
beta-adrenergic activity
cat, 119
totrahydroiMfkthoic
antiinflammatory activity
rat, 199
thtrHodynamk properties, correlation with
narcosis
mammals, 369
thiuoto
antifungal activity, 321
tMuoto MfaKKptayl)
antiviral activity, 233
thleoodlazepiiMS
CNS depressant activity
mouse, 272
rat, 272
LD50
mouse, 272
propylthiouraciU
thyroid peroxidase inhibition, 242
thioureas
CNS depressant activity
dipole moments, 240
mouse, 240
cytokinin activity
tobacco plants, 33
LD50
mouse, 240
permeability of blood-aqueous barrier
partition tMwfflcienU, .III)
permeability constants, 310
x rabbit, 310
throabia inhibition
Hansch method
bcnzamidines, 61
thyroxine activity
diphenyl ethers
correlation with structure, 34
rodent
thyroxines, 147
thyroxines
thyroxine activity
rodent, 147
tobacco planti
cytokinin activity
thiqureas. 33
ureas, 33
TopllHtrec
drug design, 133
examination of, 382
toxklty
acidity constants, correlation with
phenols, 374
barley
DDT, 342
Hansch method
phenols, 105, 374
mouse i
benzenes, 24
nitrofurans, 190
selected organic compounds, 241
partition coefficients
selected organic compounds, 253
tritylamines, 28
plant
phenols, 96, 105, 374
rat
selected organic compounds, 241 .
review
linear free energy relationship, 87
snail
trityUmines, 28
-------
toiiclty synergtom of carbaryl
Hansch method
alkylimidazoles, 352
tnaqnilizatim
phenothiazines, 117
rat
malonkmates, 244
tramguilixeri
classification into groups
cluster analysis, 58
Fisher discriminant, 58
K. nearest neighbor technique, 58
structural fragments, 58
Marines
dihydrofolate reductase binding
Hansch method, 264
partition coefficients, 264
trichlorometkylthloheterocyles
antifungal activity
Hansch method, 390
partition coefficients, 390
trlfluoromethylpflenols
bactericidal activity
partition coefficients, 75
trltylamines
toxicity
partition coefficients, 28
snail, 28
trypanocide activity
tetrahydrocarbazoles, 284
trypsin inhibition, 61
tumor A brain localization ratio
Hansch method
phenyl boronic acids, 169
mouse
phenyl boronic acids, 169
tumor cells
1 growth inhibition -
adenownes, 90, 90
tmaor growth May
Hansch method
nitrosoureas, 266
partition coefficients
nitrosoureas, 266
tumor-inhibitory activity
see also antitumor activity
benzylisoquinoline alkaloids, 222
rat
solapalmitines, 223
tumor weight inhibition
pattern recognition
purine nucleosides, 218
pyrimidine nucleosides, 218
cytokinin activity '
tobacco plants, 33
hill reaction inhibition
Hansch method, 143
Huckel MO method, 204
plant, 116
hypnosis
mouse, 184
partition coefficients, 184
surface tension, relative, 184
LD50
mouse, 184, 240
valence-force constants
carbonic anhydrase inhibition .
sulfonamides, 203
Van der Wads radii
adrenergic blocking activity
phenethylamines, halo-, 341
steric parameter correlation, 377
Van der Waals radii, dependence
steric parameter, 52, 129
vitamin B6 derivatives
carcinoma growth inhibition, 216
water solubility
partition coefficients
linear free energy relationship, 163
WLN
decoding
branch chain searching, 229
multiplied group searching, 229
WLN encoding * retrieval
data base, computerized
structure-activity data, 155
WLN for complex rings
computer decoding, 84
yeast
phosphorylation inhibition, 152
phenols, 152
CNS depressant activity
dipole moments, 240
mouse, 240
cytochroroe interconversion, 191
-------
Author Index
Aboul-Eneln, H.Y., 242
Ackerly, J.A., 119
Adams, H.J., 77
Adamson, G.W., 359
Albert, A., 1
Albonlco, S.M., 284:
Allen, R.C., 2, 44. 45,
Allison, W.E., 275
Alvarez, M., 284
Anderson, BAf., 214
Anderson, S.M.. 136, 137, 167.238
380
Andrews, P.R., 3
Angellno, N., 216
Aokl, M.,203
Ariki. K., 272
Arieas, E.J., 4
Atkins, M.I., 360
Atland, H.W., 222 ,
Austin, W.C., 252
Autian, J., 226
Balsamo, A., 5
Bamdas, E.M.. 316
Ban, T., 6, 102
Barbara, A.M., 17, 18, 19
Barlow, R.B., 7. 8. 9
Baa, G.E., 10. 11, 189, 226
Beasley, J.G., 12, 298, 299
Beckett, A.M., 13
Beckett, L.. 283
Bell, K.H., 14. 15
Bell, P.M., 16
Bell, S., 249, 384
Bender, C.F., 217, 218
Bentley, D., 167
Bentley, D.L., 283
Berkoff. C.E., 367
Berttch, W.F., 202
Bereridge, D.L.. 205
Biagi, G.L., 17, 18, 19. 338
Billman, J.H., 361
Bird, A.E., 20
Blackman, G.E.. 21, 22
Bloor. J.E., 23
Bocek, K., 24, 215
Bonardl, G.. 260
Bondesson, G., 223
Borg, D.C., 25
Borne, R.F., 26
Bowden.K., 27
Bowen, S., 242
Bower, R.R., 249. 384
Boyce, C.B.C., 28
Bracha, P., 29
Bradley, W., 30
Brock. N.. 362
Brock, V.N., 363
Brodle, B.B., 31
Brown, H.C., 32
Bruce, M.I, 33
Brulce, T.C., 34
Braaova, B., 221
Brans, H., 35
Bucbel, K.H., 79
Buck, J.S., 184
Buckler, R.T., 36
Bueding, £.. 190, 306. 307
Bunger, P., 219. 220
Burger, A., 358
Burton, W.H., 56
Bush, J.A., 359
Bush, J.H., 372
Bustard, T.M., 37, 46. 247, 364, 383
Butcher, F.R., 388
Calms, H., 38
Caldwell, H.C.. 77, 78
Camerman, A., 39
Camermaa, N., 39
Cammarata, A., 40, 41, 42, 43, 44, 45
46, 47, 48, 49. 308. 364
Camper, N.D.. 50
Cantwell, G.P., 352
Carlson, G.L., 2
Casadlo, S., 260. 261
Casy, A.F.. 13
Cavallito C.J.. 2
Chang, KJ., 51
Charton, M., 52, 53, 54
Chemburkar, P.B., 113
Cheng, C.C., 35, 56
Cheng, M.C-F., 114
Chlen, P.L., 55, 56
Chlou, C.Y., 57
Chlsholm, D.R.. 252
Chou, J.T., 241
Chu, K.C., 58
Church, C, 231. 343
Cilento, G.. 59
Clark, C.R., 26
Clayton, G.M., 300
Clayton, J.M., 60, 138. 301
Coats, E., 139
Coats, E.A., 61
Cohen, J.D.. 365
Collander, R., 62, 63
Collett, J.H.. 49
Comer, W.T., 250
Condourls, G., 211
Conover, L.H., 252
Cook, E.S.. 371, 372
Cook, L., 117
Coppl, G., 260
Cornell, N., 140
CornweU, D.G., 338
Cornwell, R.L., 252
Costello, R.J., 335
Cotiias, G.C., 25
Coubeils, J.L., 64, 65, 141, 291, 293
Courriere, P.. 64. 290, 291. 292. 293
Courtney, W.; 252
Cowles, P.B., 66
Cox, J.S.G., 38
Craig, P.N., 67, 68, 69, 70, 71, 72, 366
Cramer, D.L., p
Cramer, R.O., HI, 367
CranfleU, R.. 332
Crotti, P.. 5 '••'•'
Crummett, W.B., 275
Culp, H.W., 180 ,
Currte, D J., 74
Dahl, L.F., 329 -
Daly, J.N., 188
Danllewfcz, J.C., 252
Darras, F., 368
Dauterman, W.C., 389
Davies, A.P., 223
Dads, S.S., 182
Day, N.A., 110
Dearden, J.C., 75
DeBeer, E.J., 184
Deitchman, D., 250
Del Tacca, M., 5
DeniscTlch, P.. 162
Denning, G.S., 88
Deth, R.C., 51
Deutsch, E.W., 76. 142, 143, 144, 145
170
DiCarlo, F.J., 352
Dittert, L.W., 77, 78
Doukas, P.H., 263
Draber, W., 79
Druckery, E., 80
Dvnn, W.J., 382 :
Dunn, W.J., III, 146
Durden, J.A., 81
Durham, J.P., 388
Dyson, G.M., 82
Easty, G.C., 30
Eddy, N.B.. 83
Edington, L.V., 321
Eisdorfer, I.B., 346
Elkina, D., 84, 155,229,232
Ellison, T., 78
Engle, R., 164
Erlichman, J.. 309
Everett, G.M., 330
Exner, O., 85, 86
Fahlen, L.A., 315
FaraJ, B.A., 351
Ferguson, J., 87
Ferguson, L.N., 227. 228
Fessler, D.C., 88
Field, L.. 89
F1IOT, V.A., 369
Fisher, J., 306
Fttzmaurice, C., 38
Fleysher, M.H., 90
Fliedner, LJ., 91
Flynn, G.L.. 92, 93, 357
Folkers, K., 331
Ford-Moore, A.H., 94
Forsythe, A.8., 171
Fowler. P.J., 201, 202
Frank, R.E., 370
Franks, P.M.. 7
Free, S.M.. 95
Fried, I.M.. 244
Fujll, A., 371, 372
Fujlnami, A., 373
35
-------
Fujlta, T., 6, 96, 97, 98, 99, 100, 101
102, 103, 104, 105, 106, 107, 147
159, 160, 268, 373, 374, 392
Fnkul, K., 271
Fukuto, T.R., 108, 109, 255, 256, 257
391
Fuller, R.W., 110
Gaboon, P.A., 111
Gunba, M.F., 17, 18
Ganellln, C.H., 112
Garascla, R.J., 372
Garrett, E.R., 113, 162
Carton, G., 21, 22
Carrey, E., 201
Geiger, F., 160
George, J.M., 213
Geratz, J.D.. 114
Germanova, K.I., 316
Gervois, J-P., 291
Gillette, J.R., 31
Gilmour, L., 279
GUson, B.R., 23
GUdlsh, Y.G., 330
Clave, W.R., 115, 148, 149
Good, N.E., 116
Goodford, P.J., 332
Goodwin, T.W., 342
Goodwin, W.R., 199
Gordon, M., 117
Goreckl, D.KJ., 176
Gorin, M., 162
Graft, A., 233, 375
Graham, J.D.P., 118
Graaa, E., 288, 289
Gray, A.P., 119
Green, J.P., 120, 121, 206, 207
Grifantini, M., 122
Grlndey, C.B., 348
Grundy, W.E., 249, 384
Gudauskas, G.A., 236, 379
Guerra, M.C., 17, 18, 19
Haas, R.J., 23
Hamley, W.S., 89
Hancock, C.K., 123
Hamch, C, 72, 76, 84, 103, 104, 115
124, 125, 126, 127, 128, 129, 130
131, 132, 133, 134, 135, 136, 137
138, 139, 140, 141, 142, 143, 144
145, 146, 147, 148, 149, 150, 151
152, 153, 154, 155, 156, 157, 158
159, 160, 161, 162, 163, 164, 165
166, 167, 168, 169, 170, 171, 172
178, 212, 229, 230, 231, 232, 237
238, 264, 266, 268, 269, 283, 319
341, 343, 355, 356, 376, 377, 378
380
Hutsen, O.R., 173
Harms, A.F., 174
Harrison, M., 8
Hastings, F.L., 389
Hata, T., 281
Hatanaka, M., 175
Hava, M.M., 119, 351
Haves, E.M., 176
Heathcote, J.G., 177
Heii, G.C., 200
Heller, S.R., 208
Helmer, F., 150, 15X, 178
Henian-Ackah, S.M, 162
Hemker, H.C, 179
Hermann, R.B., 180
Hersch, L., 181
Herz, A., 224
Hess, R., 224
Hetnanki, K., 352
Heyl, D., 331
Hibbert, J.R., 177
Higuchi, T., 182
Hilton, B.D., 279
Hirano, K., 183
Hironaka, Y., 281
HJort, A.M., 184
Ho, B.T., 185
Hoeschefe, J.D., 186
Holbrook, J.M.. 26
Holland, J.B., 248
Holmes, H.L., 74
Holtje, H-D., 187, 213
Honter, D., 38
Horsfall, F.L., 331
Howes, H.L., Jr., 252
Howison, P.W., 265
Huang, C.T., 389 i
Huang, M., 188
Hudson, D.R., 10, 11, 189
Hudyma, T.W., 199
Hulbert, P.B., 190
Hussain, M., 239
Ichikawa, Y., 191
Ida, M., 193
Ide, W.S., 184
Ing, H.R., 94
Irwin, G.M., 77, 78
Ishida, S., 192, 193, 194
Ishimaru, T., 175
Ison, R.R., 8
Iwasa, J., 104, 168, 169, 170
Jacobson, A.E., 208, 209, 210
Jaffe, I.A., 89
Janssen, P.A.J., 195, 196
Jantz, A., 351
Jarboe, C.H., 248
Javidan, S., 197, 198
Johannes, S., 184
Johnson, C.L., 120
Johnson, D.D., 176
Johnson, P.B., 38
Jones, P.H., 249, 384
Jyby, P.F., 199
Kaiser, C., 200, 201, 202, 358
Kakeya, N., 203
Kamada, A., 203
Kamoshlta, K., 392
Kamrin, M., 202
Kang, S., 120, 121, 205, 206, 207
Karapetyw, M.G., 316
Karrar, M.A., 118
Katz, R., 208, 209, 210
Kauer, K., 275
Kelly, P.L., 89
Kensler, CJ., 211
Kerley, R., 151, 165
Kharasch, N., 34
Kiehs,K., 152. 178, 212, 376
Kler, L.B., 187,213
Kim, D.K., 326
Kim, K.H., 153, 161
Kim, S.J., 214
King, J., 38
KolosoT, M.N., 316
Kong, C-T., 390
Kopecky, J., 24, 215
Korytnyk, W., 216
Kowalski, B.R., 217, 218
Kralik, P.M., 185
Krirucova, M., 24
Kruger-Thiemer, E., 219, 220, 314
Kuchar, M., 221
Kuhtmann, J., 362
Kumler, W.D., 240
Kupchan, S.M., 222, 223
Kutter, E., 154, 224, 377, 378
La Du, B.N., 31
Lands, A.M., 225
LaPidus, J.B., 265
Larson, K.A., 326
Lawrence, A.R., 227, 228
Lawrence, G.L., 152, 163, 376
Lawrence, W.H., 226
Lee, T.B., 38
Lee, W., 365
Lenaerts, F.M., 196
Leo, A., 84, 141, 154, 155, 161, 229
230,231,232
Leonard, C.A., 200 ;
Lester, B.M., 200, 202
Levitov, M.M., 316
Li, K., 185
Ltebig, H., 233, 375
Lien, E.J., 156, 157, 158, 161, 234, 235
236, 237, 238, 239, 240, 241, 365
379, 380, 381, 390
Lien, L.L., 241
Lindsay, R.H., 242
Loev, B., 244
Loew, G., 245
Lords, G.H., 38
Lough, C.E., 74
Lowe, B.M., 9
Lukeos, R.J., 390
Lapton, E.C., Jr., 328
Lynch, J.E., 252
Lynch, M.F., 82
Lynn, K.R., 247, 383, 385
Macchla, B., 5
Macchia,F.,5
Macko, E.,244
Malooey, P.P., 159, 160
Mantegani, A., 260
Marallana, A., 211
Marazzi-Ubertl, E., 261
Marsh, M.M., 110, 180
Marshall, A.C., 20
Martelll, S., 122
Martin, A.N., 49
Martin, W.B., 330
Martin, Y.C., 37, 72, 246, 247, 248
249,382, 383,384/385
36
-------
Mawy, W.F., 370:
Masuccl, F.D., 88
Matter, W.L.. 250
Mutner, H.G., 251
May, E.L.,.83
Mayo, J.G., 266
Muunti, L., 5
McCaustland, D.J., 56
McFarland, J.W., 72, 252, 386
McGowan, J.C., 253. 254
Mclsaac, W.M., 185
McMahon, R.E., 180
Mcrola. A.J., 338
Merryman, P., 89
Mertes, M.P., 286
MeMer, J.R.. 323
Metcalf, R.L., 109, 255, 256, 257
Metzger, H., 80
Meyer, H.. 258
Mayerboffer, A., 259
Meyers, E.A., 123
Mllborrow, B.V., 28, 262
Miller, E., 264
Miller, G.H., 263
Mine, A.. 373
Minoli, G., 261
Mlttcher, L.A., 265
Molloy, B.B., 110
Moniholl, R., 38
Montgomery, J A., 266
Moore, L., 212
Morwi, R.G., 348
Morel, D., 242
Moreland, D.E., 50
Morgan, D.H., 252
Morrison, D.G., 267, 370
Motulsky, H., 245
Mrtek, R.G., 197, 198
Muir, R.M;, 159, 160, 268. 269
Mulllns, L.J.. 270
Muraoka, S., 333
Myers, M.J.. 91
NagaU, C, 271
Nakagawa, A., 281
Nakajima, M.. 105, 106, 107, 392 '
Nakamoto, K., 162
Nakanishl, M., 272
Naata, W.Th., 174
Neely, W.B., 273, 274. 275, 276, 277
Newhall, W.F., 278
Ntehol, C.A., 348
Ntemegeera, C.J.E.. 195, 196
Nikaitani, D., 161
Nishioka, T., 392
Nodlff, E.A., 201
Norrlngton, F.E., 332
O'Brien, R.D., 29, 279. 280
Okamaru, K.. 183
Okanoto, Y., 32
Olson, W.P., 280
Onura, S., 281
Ostrenga, J.A., 282
Otsu, T., 243
Pachter, I.J., 91
Pala, G., 260
Pals, D.T., 88
Parke, M.H., 21, 22
Parker, J.E., 10, 11
Partyka, RjV., 199
Paul, B., 216
Pavloff, A.M., 201, 202
Pearson, J.D.M., 7, 8, 9
Pecca, J.G., 284
Penniston, J.T., 283
Perun, TJ., 249, 384
Pfetzlng, H., 233, 375
Piantadosl, C, 114
Plotnikoff, N., 248
Poliakoff, N.. 284
Portoghese, P.S., 14, 15, 285
Potel, J., 363
Pottl, P.G.G., 216
Powers, LJ., 286
Pratesi, P.. 287, 288, 289
Pullman, A., 294
Pullman, B., 64, 65, 290, 291, 292, 293
294
Purcell, W.P., 10, 11, 12, 60, 72, 189
226, 295, 296, 297, 298. 299, 300
301, 302, 303, 304, 318, 320
Quinlan, J.E., 163
Quintana, R.P., 298, 299
Raaflaub, J., 305
Rabek, V., 221
Redl, G.. 367
ReifsckneUer, W., 275
Reit, E., 119
Rejhotoc, V., 221
Rendall, H.M.. 9
Richards, W.H.G., 332
Rlvard, D.E.. 78
Robinson, C.H., 190, 306. 307
Roblin, R.O. Jr., 16
Roehrtg. G.R., 361
Rogers, K.S., 47. 308
Rosen, O.M., 309
Rosen, S.M., 309
Ross, E.J., 310
Rossum, J.M., Van, 4. 344
Roush, B.W., 110
Rudxik, A., 276
Saggiono, J., 201
Sanders, W.J., 89
Sarma, R.H.. 153
Sastry, B.V.R., 57
Schaeffer, J., 165
Schafer, G., 79
SchellckwM, K.H.L.. 195. 196
Scholia* W., 311
Schor, J.M., 91
Schwartz, I.. 312
Seydel, J.K., 45, 263. 313. 314
Shemlsa, O.A.. 315
Shemyakia, M.M., 316
Sheppley. G.C., 332
Shipkowlts, N.L., 249, 384
Shiroki, M.. 272
Shores, K.E., 372
Shorter, J.. 317
Shunk, C.H., 331
Shvetsov, Yu.B., 316
Silver, R.P.. 74
Singer, J.A., 299, 302, 303, 304. 318
Sinonis, A.M.,-4
Stpas, P., 88
Smith, R.N., 145, 164, 319
Smithfleld, W.R., 320
Snel, M., 321
Soeda, Y.. 106
Sokoloski, T.D., 265
Soloway, A.M., 323
Soloway, S.B., 322
Spengei, S., 307
Sram, R.J., 324, 325
Srivastava, S.C., 216
Stein, M.L., 122
Sterraitz, F.R., 326
Steward, A.R., 166, 167, 168. 169. 170
Streich, M., 160
Suter, C.M., 327
Suzuka, I., 183
Swain, C.G., 328
Sweet, R.M, 329
Swett, L.R., 330
Swintosky, J.V., 77, 78
Tagashira, Y., 271
Tahara, T., 272
Tainter, M.L., 225
Takayama, C, 107
Takigawa, Y., 272
Tamm, I.. 331
Tansey, L.W., 185
Taylor, J.D., 330
Tedeschl, D.H., 117, 200, 201, 202, 358
Tedeschl, R.E., 117. 358
Terada, H., 333
Tescbemacher, H.J., 224
Theus, P.M., 350
Thompson, G.M., 9
Thompson, W.E., 346
Tishler, M., 281
Tollenaere, J.P., 334
Tong, G.L., 239, 241, 381
Topliss, J.G., 335, 336, 337
Triggle, D.J., 51
Trudell, J.. 245
Tsumagari, T., 272
Turnbull, J.D., 338
Tute, M.S., 339. 387
Ugochukwu, E.N., 340
linger, S.H., 161, 171, 341
Upshall, D.G, 342
Van der Veen, R., 349
Vaadenbelt, JM., 343
VeUstra, H., 345
Veraengo, M J., 284
Villa, L., 289
Vlachova, D., 215
Von Kaulla, K.N., 172
Von Schmeling, B.. 321
Wain, R.L., 340
Walker, K.E., 185
Warren, R.J., 346
Weeks, G.R.^75
Weiner, M.L., 347 '
Weiher, N.P., 93
Weiner, P.H., 347
Wempe, E., 45, 314
-------
Werkheiser, W.C., 348
Wessels, J.S.C., 349
Wenffen, W., 350
White, H.C., 276
White, J.E., 89
Whitman, B., 323
Wbltmore, A.C., 114
Whitney, W.K., 277
Wiley, R.A., 351
Wilkinson, C.F., 352
Williams, D.A., 262
Williams, S.G., 332
Wilson, J.W., 95
Winder, R.J., 34
Wohl, AJ., 353
Wold, S., 354
Wolff, M.E., 355, 356
Won, C.H., 162
Wood, H., 164
Wood, R.F., 202
Wustner, D.A., 391
Wykes, A.A., 330
Yager, B.J., 123
Yalkowsky, S.H., 92, 93, 357
Yamada, O., 194
Yamamoto, I., 106
Yamamoto, T., 243
Yamano, T., 191
Yata, N., 203
Yau, S.J., 48, 49
Yonezawa, T., 271
Yothina, S., 183
Young, R.C., 27
Yudls, M.D., 336, 337
Zahradnlk, R., 72
Zarembo, J.E., 346
Zlrkle, C.l.;23, 260, 20,1, 202, 211
358
Zudova, Z., 325
Zwar, J.A.,33
38
-------
BIBLIOGRAPHIC CITATIONS
0001 Albert, A., Relations between molecular structure and biological
activity; stages In the evolution of current concepts. Ann. Rev.
Pharm. 11, 13-36 (1971).
0002 Allen, R.C., G.L. Carlson and C.J. Cavallito, Chollne acetyltransferase
Inhibitors. Physlcochemlcal properties in relation to inhibitory
activity of styrylpyridine analogs. J. Med. Chem. 13(5), 909-12
(1970) . .
0003 Andrews, P.R., Are calculated electron populations suitable
parameters for multiple regression analyses of biological activity?
J. Med. Chen. 15(10), 1069-72 (1972).
0004 Ariens, E.J., J.M. van Rossum and A.M. Slnonis, A theoretical
basis of molecular pharmacology. Part 1: Interactions of one
or two compounds with one receptor system. Artzneim. Fofsch.
6(5), 282-93 (1956).
0005 Balsamo, A., P. Crotti, B. Macchia, F. Macehla, M. Del Tacca,
and L. Mazzantl, Conformational effects on the activity of drugs.
4. Cyclic analogs of l-(p-tiitrophenyl)-2-isopropylaminoethanol.
Synthesis and evaluation of the adrenergic beta-receptor
blocking activity of 2-(p-nitrophenyl)-4-isopropylmorpholine.
J. Mad. Chem. 16(3), 224-7 (1973).
0006 Ban, T. and T. Fujita, Mathematical approach to structure-activity
study of sytnpathomimetlc amines. Noreplnephrlne-uptake
inhibition. J. Med. Chem. 12, 353-356 (1969).
0007 Barlow, R.B., F.M. Franks, and J.D.M. Pearson, Studies on the
stereospecificity of closely related compounds which block
postganglionic acetylcholine receptors in the guinea-pig ileum.
J. Mtd. Chem. 16(5), 439-46 (1973).
0008 Barlow, R.B., M. Harrison, R.R. Ison, and J.D.M. Pearson, Kplmeric
forms of quaternary derivatives of atroplne. J. Med. Chem. 16(5),
564-6 (1973).
0009 Barlow, R.B., B.M. Lowe, J.D.M. Pearson, H.M. Kendall, and G.M.
Thompson, Ion size and activity at acetylcholine receptors. Mol.
Pharm. 7, 357-66 (1971).
0010 Bass, G.E., D.R. Hudson, J.E. Parker, and W.P. Pureell, Mechanism
*• ot.antlmalarial activity of chloroquine analogs from quantitative
.•:•„, structure-activity studies. Free energy related model. J. Med.
Chem. 14(4), 275-83 (1971). '
-------
0011 Bass, G.E., D.R. Hudson, J.E. \Parker and W.P. Purcell, Interpretation
of antimalarial activity in terms of regression analyses, molecular
orbital calculations, and theory of DNA-drug binding. Progr; Mol.
Subcell Biol. 2,126-33 (1971).
0012 Beaslcy, J.G. and W.P. Purcell, An example of successful prediction
of cholinesterase inhibitory potency form regression analyses.
Biochim. Biqphys. Acta 178,175-6 (1969). '
0013 Beckett, A.H. and A.F. Casy, Recent advances in pethidine-type
analgesics. Bull, on Narc. 9(4), 37-54 (1957).
0014 Bell, K.H. and P.S. Portoghese, Stereochemical studies on medicinal
agents. 14. Relative stereochemistries and analgetic potencies
of diastereomeric 3-allyl and 3-propyl derivatives of l-methyl-4-
phenyl-4-propionoxypiperidine. J. Med. Chem. 16(3), 203-5, (1973).
0015 Bell, K.H. and P.S. Portoghese, Stereochemical studies on; medicinal
agents. 15. Absolute configurations and analgetic potencies of
enantiomeric diastereomers of 3-allyl-l-methyl-4-phenyl-4-
proplonoxypiperldlne. J. Med. Chem. 16(6), 589-91 (1973).
0016 Bell, P.H. and R.O. Roblin, Jr., Studies in chemotherapy. VII.
A theory of the relation of structure to activity of sulfanllamide
type compounds. J. Am. Chem. Soc. 64, 2905 (1942).
0017 Biagi, G.L., A.M. Barbaro, M.F. Gamba and M.C. Guerra, Partition
data of penicillins determined by means of reversed-phase thin-
layer chromatography. J. Chrom. 41, 371-9 (1969).
0018 Biagi, G.L., M.C. Guerra, A.M. Barbaro and M.F. Gamba, influence
of llpophllic character on the antibacterial activity of cephalosporins
and penicillins. J. Med. Chem. 13(3), 511-16 (1970).
0019 Biagi, G.L., M.C. Guerra and A.M. Barbaro, Relationship between
llpophllic character and hemolytlc activity of testosterone and
testosterone esters. J. Med. Chem. 13(5), 944-8 (1970).
0020 Bird, A.E. and A.C. Marshall, Correlation of serum binding of
penicillins with partition coefficients. Biochem. Pharm. 16,
2275-90 (1967) .
0021 Blackman, G.E., M.H. Parke and G. Garton, The physiological activity
of substituted phenols. I. Relationships between chemical ,
structure and physiological activity. Arch. Biochem. Biophys.
54, 45-54 (1955) .
0022 Blackman, G.E., M.H. Parke and G. Garton, The Physiological activity
of substituted phenols. II. Relationships between physical
properties and physiological activity. Arch!. Biochem. Biophys. 54,
55-71 (1955). .
0023 Bloor, J.E., Gilson, B.R., R.J. Haas and C.L'. Zirkle, Electron-
donating properties of phenothlazine and related compounds. J.
Med. Chem. 13(5), 922-5 (1970).
40
-------
0024 Bocek, K., J. Kopecky and M. Krlvucova, Chemical structure and
biological activity of o-dlsubstituted derivatives of benzene.
Experlentla 23, 1038 (1967).
0025 Borg, D.C. and G.C. Cotzias, Interaction of trace metals With
phenothiazine drug derivatives, I. Structure-reactivity correlations.
Proc. Nat. Acad. 8cl. 48(4), 617-23 (1962).
0026 Borne, R.F., C.R. Clark, and J.M. Holbrobk, 2-Azabicyclo [2.21]
octane derivatives as conformatlonal analogs of local anesthetics.
J. Med. Chem. 16(7), 853-6, (1973).
0027 Bowden, K. and R.C. Young, Structure-activity relations. I. A
series'of antagonists of acetylchollne and histamine at the
postganglIonic receptors. J. Med. Chem. 13, 225-30 (1970).
0028 Boyce, C.B.C. and B.V. Mllborrov, A simple assessment of partition
data for correlating structure and biological activity using
thin-layer chromatography. Nature 208(5010), 537-9, (1965).
0029 Braeha, P. and R.D. O'Brien, The relation between physical properties
and uptake of insecticides by eggs of the large milkweed bug.
J. Econ. Entomol. 59(5), 1255-64 (1966).
0030 Bradley, W. and G.C. Easty, The selective absorption of optical
antipodes by proteins. Part II. J. Chem. Soc., 1519 (1953).
0031 Brodie, B.B. J.R. Gillette and B.N. La Du, Enzymatic metabolism of
drugs and other foreign compounds. Ann. Rev. Btoehem. 27, 427-54
(1958).
0032 Brown, H.C. and y. Okamoto, Electrophllic substituent constants.
J. Am. Chem. Soc. 80, 4979-87 (1958).
0033 Bruce, M.I. and J.A. Zwar, Cytokinin activity of some substituted
ureas and thioureas. Proc. Royal Soc. Biol. (B) 165, 245-65
(1966).
0034 Brulce, T.C., N. Kharasch and R.J. Wlnzler, A correlation of
thyroxine-1 ike activity and chemical structure. Archives Biochem.
Biophys. 62, 305-17 (1956).
0035 Bruns, H., A mathematical method for determining structure action
correlations. Unpublished.
0036 Buckler, R.T., Structure-activity relationships among some
antlinflammatory 3-(5-aryl-2-tetrazolyl) alkanoic acids and
derivatives. J. Med. Chem. 15(6), 578-83 (1972).
0037 Bustard, T.M. and Y.C. Martin, Conformatlonal and structural
relationships among antipeptlc ulcer compounds. J. Med. Chem.
15(11), 1101-5 (1972) .
41
-------
0038 Cairns, H., C. Fitsnnauri.ee, D. Honter, P.B. Johnson, J. King, T.B.
Lee, G.H. Lords, R. Monsholl, and J.S.6. Cox, Synthesis and
structure activity relationships of disodium cromoglycate and
some related compounds. J. Med. Chem. 15(6), 583-9 (1972).
-x - '
0039 Camerman, N. and A. Camerman, The sterbchemical basis of
anticovulsant drug action. III. The structure of proyclidine
hydrochloride. Mol. Pharmacol. 7, 406-12 (1971).
0040 Cammarata, A., An apparent correlation between the in vitro
activity of chloramphenicol analogs and electronic polarizability.
J. Med. Chem. 10(4), 525-7 (1967).
0041 Cammarata, A., Some electronic in drug receptor interactions. J.
Med. Chem. 11(6), 1111-5 (1968).
0042 Cammarata, A., An analysis of biological linear free-energy
relationships. J. Med. Chem. 12, 314-7 (1969).
0043 Cammarata, A., Interrelationship of the regression models used for
structure activity analyses. J. Med. Chem. 15(6), 573-7 (1972).
0044 Cammarata, A. and R.C. Allen, Observations concerning the correlation
of In vitro sulfonamide activity with pKa and the Hammett 'values.
J. Pharm. Sci. 56(5), 640-2 (1967).
0045 Cammarata, A., R.C. Allen, J.K. Seydel, and E. Wempe, Cautions
regarding the physical interpretation of statistically based
structure activity relationships. J. Pharm. Sci. 59(10), 1496-9
(1970)".
0046 Cammarata, A. and T.M. Bustard, Relnvestigation of a "Nonadditive"
quantitative structure-activity relationship. J. Med. Chem.
17(9), 981-5 (1974) . '
0047 Cammarata, A. and K.S. Rogers, Electronic reparesentatlon of the
lipophllic parameter. J. Med. Chem. 14(4),'269-74 (1971). :
0048 Cammarata, A. and S.J. Yau, Predtestability of correlations between
in vitro tetracycllne potencies and subtituent indices. J. Med..
Chem. 13; 93-7 (1970) .
0049 Cammarata, A., S.J. Yau, J.H. Collett, and A.N. Martin, Correlation
of the potencies of tetracyclines in vitro with a D-rlng sustltuent
index. Mol. Pharm. 6, 61-6 (1970).
0050 Camper, N.D. and D.E. Moreland, Correlations between acidity of
substituted phenylamldes and inhibition of the hill reaction.
Biochim. Biophys. Acta 94, 383-93 (1965).
0051 Chang, K.J., R.C, Deth, and D.J. Triggle, Structural parameters
determining chollnergic and anticholinergic activities in a series
of 1,3-dioxolanes. J. Med. Chem. 15(3) 243-7 (1972) .'.a
42
-------
0052 Charton, M., The nature of the ortho effect. II. Composition of
the taft staric parameters. J. Am. Chem. Soc. 91(3), 615 (1969).
0053 Charton, M., The Nature of the ortho effect. III. Acid hydrolysis
ortho-subitituted benzoates and ester ificatlon of ortho substituted
benzole acids. J. Am. Chem. Soc. 91(3), 619-23 (1969).
0054 . Charton, M., The nature of the ortho effect. IV. Alkaline hydrolysis
of ortho substituted benzoates. J. Am. Chem. Soc. 91(3), 624-8
(1969).
0055 Chien, P-L. and C.C. Cheng, Further side chain modification of
antlmalarial phenanthrene amlno alcohols. J. Med. Chem. 16(10),
1093-6 (1973) .
0056 Chien, P.L., D.J. McCaustlaad, W.H. Burton, and C.C. Cheng, Structure-
activity relationship studies on antimalarial phenanthtene amlno
alcohols. Modification of the side chain. J. Med. Chem. 15(1),
28-33 (1972) ,
0057 Chiou, C.Y. and B.V.R. Sastry, Cholinergic activities of
halogeno-acetylcholines. J. Pharm. Exp. Therap. 172 (2), 351-66
(1970).
0058 Chu, K.C., Applications of artificial Intelligence to chemistry.
Use of pattern recognition and cluster analysis to determine the
pharmacological activity of some organic compounds. Anal. Chem.
46(9), 1181-7 (1974).
0059 Cilento, G., Resolution of the over-all basicity of carcinogenic
and noncarcinogenie derivatives of 4-aminoazobenzene. Cancer
Res, 20, 120-4 (1960).
0060 Clayton, J.M. and W.P. Purcell, Uansch and Free-Wilson analyses
of inhibitory potencies of some l-decyl-3-carbamoylplperidlnes
against butyrylchollnesterase and comparison of the two methods.
J. Med. Chem. 12, 1087-8 (1969).
0061 Coats, E.A., Comparative Inhibition of thrombin, plasmln, trypsin,
• and complement by benzamldines using substltuent constants and
regression analysis. J.Med. Chem. 16(10), 1102-6 (1973).
0062 Collander, R., The partition of organic compounds between higher
alcohols and water. Acta Chemica Scand. 5, 774-80 (1951).
0063 Collander, R., The permeability of Nitella cells to non-electrolytes.
Physiol. Plantarium 7, 420-445 (1954).
0064 Coubeils, J.L., Ph. Courrlere and B. Pullman, Quantum-mechanical
study of the confornational properties of sympatholytIc compounds.
J. Med. Chem. 15(5), 453-5 (1972).
0065 Coubeils, J.L. and B. Pullman, Quantum-mechanical study of the
conformatlonal properties of drugs with local anesthetic action.
Mol. Pharmacol. 8, 278-84 (1972).
43
-------
0066 Cowlfcs, P.B., The possible role of ionization in the bacteriostatic
action of the sulfonand.des. Yale J. Biol. Med. 14, 599-604
(1942).
• • ' .' . .!
0067 Craig, P.N., Correlation of chemical structures and biological data.
J. Chen. Doc. 2, 106-9 (1962).
0068 Craig, P.N., Comparison of batch and time-sharing computer runs for
correlating structures and bioactlvlty by the Hansch method." J.
Chem. Doc. 11(3), 160-2 (1971).
0069 Craig, P.N., Interdependence between physical parameters and selection
of substituent groups for correlation studies. J. Mad. Chem.
14(8), 680-4 (1971).
0070 Craig, P.N., Structure activity correlations of antlmalarial.
compounds. 1. Free-Wilson analysis of 2-phenylquinoline-4- ..
carblnols. J. Med. Chem. 15(2), 144-9 (19/2).
0071 Craig, P.N., Comparison of the Hansch and Free-Wilson approaches
to structure activity correlation. IN: Advances in Chemistry
Series (114) . "Biological correlatlons-Hansch approach" Am.!
Chem. Soc., p. 115-29, 1973. '
0072 Craig, P.N., Hansch, J.W. McFarland, C. Martin, W.P. Purcell and
R. Zahradnlk, Minimal statistical data for structure-function
correlations. J. Med. Chem. 14(5), 447 (1971).
0073 Cramer, D.L., The mode of action of nltrofuran compounds II.
Application of physiochemical methods to the study of action
against staphylococcus aureus. J. Bact. 54, 119-25 (1947).
0074 Currle, D.J., C.E. Lough, R.F. Silver and H.L. Holmes, Partition
coefficients of some conjugated heteroenoid compounds and 1,4-
naphthoqulnones. Can. J. Chem. 44, 1035-43 (1966).
0075 Dearden, J,C. and G.R. Weeks, Relationship of physicochemical
properties of Isomerlc trlfluoromethylphenols with their bactericidal
effect on Escherichia coll. J. Pharm. Sci. 62(5), 843-4 (1973).
0076 Deutsch, W.E. and C. Hansch, Dependence of relative sweetness on
hydrophobic banding. Nature 211, 75 (1966).
0077 Dittert, L.W., H.C. Caldwell, H.J. Adams, G.M. Irwin, and J.V.
Swintosky, Acetaminophen prodrugs. I Synthesis, Physicochemical
properties, and analgesic activity. J. Pharm. Sci. 57(5), 774-80
(1968).
0078 Dittert-, L.W. , H.C. Caldwell, T. Ellison, G.M. Irwin, D.E. Rivard,
and J.V. S win to sky, Carbonate ester prodrugs of salicylic acid.
Synthesis, solubility characteristics, In vitro enzymatic hydrolysis
rates, and blood levels of total sallcylate following oral
admlnstratlon to dogs. J. Pharm. Sci. 57(5),, 828-31 (1968) .
44
-------
0079 Draber, W., K.H. Buchel, and G. Schafer, Quantitative structure-
activity atudlei of hydrazones, uncouple™ of oxidative phosphorylatlon.
' Z. Naturforach. 27b, 159-71 (1972).
0080 Druckery, E. and H. Metzger, 2,6-Dihydroxybenzoic acid an11Idea
active against liver flukes. A Hansch analysis. J. Med. Chem.
16(5), 436-9 (1973).
0081 Durden, J.A., Acute oral toxicity of 2-alkyl- and 2,6-
dlakylanillnes. Correlation with lipophilicity. J. Med. Chem.
16(11): 1316- (1973).
0082 Dyson, G.M. and M.F. Lynch, Chemical-biological activities. A
computer-produced express digest. J. Chem. Doc. 3, 81-5 (1963).
0083 Eddy, N.B. and E.L. May, The search for a better analgesic. Science
181, 407-14, (1973).
0084 Elklns, D., A. Leo, and C. Hansch, Computerized management of structure-
activity data. III. Computerized decoding and manipulation of
ring structures coded in WLN. J. Chem. Doc. 14(2), 65-9 (1974).
0085 Exner, 0., Additive physical properties. II. Molar volume as an
additive property. Collection Czech. Chem. Comm. 32, 1-23 (1967) .
0086 Exner, 0., Additive physical properties. III. Re-examination of
the additive character of parachor. Collect. Czech. Chem. Comm.
32, 24-55 (1967) .
0087 Ferguson, J., The use of chemical potentials as indices of toxicity.
Proc. Roy. Soc. Ser.'B. 127, 387-404 (1939).
0088 Fessler, D.C., F. Sipos, G.S. Denning, D.T. Pals, and F.D. Masuccl,
Anglotensln II antagonism. Structure-Activity relationships of 8-
substituted anglotensin II analogs. J. Med. Chem. 15(10), 1015-16
(1972).
0089 Field, L., W.8. Hamley, P.L. Kelly, W.J. Sanders, J.E. White, I.A.
Jaffa and P. Merryman. Biologically oriented organic sulfur chemistry.
12. Further principles of structure-activity relationships for
penlcllamine analogs and derivatives. J. Med. Chem. 16(10), 1152-7
(1973).
0090 Fleysher, M.H., N6-Substituted adenosines: synthesis, biological
activity, and Some structure-Activity relationships. J. Med. Chem.
15(2), 187-91 (1972).
0091 Flledner, L.J., M.J. Myers, J.M. Schor, and I.J. Pachter, Synthesis
and structure-activity relationships of fibrinolytic 1, omega-
diphenyl-1, omega-alleanedlamines. J. Med. Chem. 16(7), 749-54
(197,3).
0092 Flynn, G.L. and S.H. Yalkovsky, Correlation and prediction of mass
transport across membranes I: Influence of 'alkyl chain lengthen
flux-determining properties of barrier and dlffusant. J. Pharm.
Sci. 61(6), 838-52 (1972) .
45
-------
0093 Flynn, G.L., S.H. Yalkowsky and N.D. Weiner, General influence of
physicochemical properties on drug-receptor combination, .J.
Pharm. Sci. 63(2), 300-4 (1974). n
0094 Ford-Moore, A.H. and H.R. Ing, 11. Synthetic mydrlatics, J. Chem.
Soc., 55-60 (1947).
0095 Free, S.M. and J.W. Wilaon, A mathematical contribution to structure-
activity studies. J. Med. Chem. 7, 395-9 (1964).
0096 Fujita, T., The analysis of physiological activity of substituted
phenols with substltuent constants. J. Med. Chem. 9(6),
797-803 (1966).
0097 Fujita, T., Structure-activity relation of physiologically active
compounds. Nippon Nagel Kagaku Kaishl 41(11), R45-R51, (1967).
0098 Fujita, T., Structure-activity study of pesticides. Kagaku No
Ryoiki 22(7), 578-92 (1968). '.'•
0099 Fujita, T., Hydropholic bonding of sulfonamide drugs with serum
albumin. J. Med. Chem. 15(10), 1049-56 (1972).
0100 Fujita, T., Structure-activity relationships of monoamine oxldase
inhibitors. J. Med. Chem. 16(8), 923-30 (1973). <
0101 Fujita, T., Substituent-effect analyses of the rates of metabolism
and excretion of sulfonamlde drugs. Advances in Chem. Ser. No. 114,
80-97 (1973) .
0102 Fujita, T. and T. Ban, Structure-activity study of phenethylamlnes
as substrates of biosynthetic enzymes of sympathetic transmitters.
J. Med. Chem. 14(2), 148-52(1971).
•**.
0103 Fujita, T. and C. Hansch, Analysis of the structure-activity
relationship of the sulfonamide drugs using substituent constants.
J. Med. Chem. 10(6), 991-1000 (1967).
s '
0104 Fujita, T., J. Iwasa, and C. Hanach, A new subtltuent constant
derived from partition coefficients. J. Am, Chem. Soc. 86, 5175-80
(1964).
0105 Fujita, T. and M. Nakajima, The correlation between physiological
activity and physlochemlcal property of the substituted phenols.
Res. Rev. 25, 319-26 (1969).
0106 Fujita, T., M. Nakajima, Y. Soeda and I. Yamamoto, Physicochemical
properties of biological Interest and structure of nicotine'and its
related compounds. Pest. Blochem. Physiol. 1, 151-62 (1971).
0107 Fujita, T., C. Takayama, and M. Nakajima, The nature and composition
of Taft-Hancock sterlc constants. J. Org. Chem. 38 (9), 1623-30
(1973).
46
-------
0108 Fukoto, T.R,, Physico-organic chemical approach to the mode of
action of organophosphorus Insecticides. Res. Rev. 25, 327-39
• (1969). / ' ,
0109 Fukoto, T.R. and R.L. Metcalf, Structure and inaectlcldal activity
of aome diethyl substituted phenyl phosphates. J. Agr. Food Chem.
4(11). 930-5 (1956).
0110 Fuller, R.W., B.B. Molloy, N.A. Day, B.W. Roush, and M.M. Marsh,
Inhibition of phenylethanolamine N-methyltransferase by
benzylamlnes. 1. Structure-activity relationships. J. Med. Chem.
; 16(2), 10.1-6 (1973).
0111 ••-': Gabbott, P.A., I nh It it ion of photoreactions in isolated chloroplaats
by 2-azido-A-alkylamino-6-alkylamino-8-triaiine8. Prog, in Photosyn.
Res. Ill, 1712-27 (1969).
0112 Ganellin, C.R., Conformation of hlstamLne derivatives. 3. A
relationship between conformation and pharmacological activity.
J. Med. Chem. 16(6), 620-3 (1973).
0113 Garratt, E.R. and P.B. Chemburkar, Evaluation, control, and
prediction of drug diffusion through polymeric membranes. III. J.
Pharm. Sci. 57(8), 1401-9 (1968).
0114 Geratz, J.D., A.C; Whltmore, M.C-F Cheng, and C. Plantadosl,
Diamldino-alpha, omega-dlphenoxyalkanas. Structure-activity
relatiohsips for the Inhibition of thrombln, pancreatic kallikrein,
and trypain. J. Med. Chem. 16(9), 970-5 (1973).
0115 Glave, W.R. and C. Hansch, Relationship between llpophilic
character and anesthetic activity. J. Pharm. Scl. 61(4), 589-91
(1972).
0116 Good, N.E., Inhibitors of the Hill reaction. Plant Physio1. 36,
788-803 (1961).
0117 Gordon, M., L. Cook , D.H. Tedeschi, and R.E. Tedeschi, Some
structure-activity relationships In the phenothlazincs. Arzneim.-
Forsch. 13, 318-20 (1963). ,
0118 Graham, J.D.P. and M.A. Karrar, Structure-action relations in N,N-
dimethyl-2-halogenophenethylamines, J. Med. Chem. 6, 103-7 (1963).
0119 Gray, A.P., E. Reit, J.A. Ackerly and M. Hava, A study of the
conformational requirements for direct adrenergic stimulation. J.
Med. Chem. 16(9), 1023-7 (1973).
0120 Green, J.P., C.L. Johnson, and S. Rang, Application of quantum
chemistry to drugs and their Interactions. Ann. Rev. Pharm. 14,
319-42 (1974).
47
-------
0121 Green, J.P. and S. Rang, The correlation of electronic structure
of indole derivatives with their biological activities. Molecular
orbital studies in chemical pharmacology., ed. L.B, Kier, Springer-
Verlag, 1970, p. 105-20.
... •,"....)'
0122 Grifantini, M., S. Martelli and M.L. Stein, Structure-activity
relationships in reactivators of organophosphorus inhibited
acetylchollnesterase. 6. 2-Hydroxyimlnomethylimidazolium
iodides. J. Med. Chem. 16(8), 937-9 (1973).
0123 Hancock, C.K., E.A. Meyers and B.J. Yager, Quantitative separation
of hyperconjugatlon effects from steric substltuent constants. J.
Am. Chem. Soc. 83, 4211-13 (1961).
0124 Hansch, C., The use of substltuent constants In drug
design. In: Ann. Rept, Med. Chem. 1966, 347-59 (1967). ^
0125 Hansch, C., PhyBiochemical parameters in drug design.
In: Ann. Rept. Med. Chem. 1967, 348-57 (1968).
0126 Hansch, C., The use of homolytic, steric, and hydrophobic constants
in a structure-activity study of 1,3-benzodioxole synergists. J.
Med. Chem. 11, 920-4 (1968).
0127 Hansch, C., A quantitative approach to biochemical structure activity
relationships. Accounts of Chem. Res. 2, 232-9 (01-9 (1969).
0128 Hansch, C., Quantitative biochemical structure-activity correlations.
Intra Sci. Chem. Rep. 4(3-4), 257-61 (1970). ,
0129 Hansch, C., Steric parameters In structure-activity correlations.
Chollnesterase inhibitors. J. Org. Chem. 35(3), 620-1 (1970).
0130 Hansch, C., The use of slgma plus in structure-activity correlations.
J. Med. Chem. 13(5), 964-6 (1970).
0131 Hansch, C., Quantitative structure-activity relationships In drug
design. In: Drug Design, E.I. Ariens, ed., Vol. 1, Academic Press,
1971, p. 271-342.
0132 Hansch, C., Quantitative relationships between lipophilic character
and drug metabolism. Drug Metab. Revs, 1(1), 1-14 (1972).
0133 Hansch, C., Commentary: Strategy in drug design. Cancer Chemother.
Rep. 56(4), 433-41 (1972).
0134 Hansch, C., Structure-activity relationship in the chymotrypsin
hydrolysis of p-nltrophenyl esters. J. Org. Chem. 37, 92-5
(1972).
0135 Hansch, C., Drug research or the luck of the draw. J. Chem. Ed.
" 51(6), 360-5 (1974).
48
-------
0136 Hansch, C. and S. M. Anderson, The effect of intramolecular hydrophobic
bonding on partition coefficients. J. Org. Chem. 32, 2583-6 (1967).
0137 Hansch, C. and S.M. Anderson, The structure-activity relationship
in barbiturates and its similarity to that in other narcotics. J.
Med. Chem. 10(5), 745-53 (1967).
( i
0138 Hansch, C. and J.M. Clayton, Lipophillc character and biological
activity of drugs II: The parabolic case. J. Pharm. Sci. 62(1),
1-21X1973). ,
0139 Hansch, C. and E. Coats, Chymotrypsin: A case study of substituent
constants and regression anlysls in enzymic structure-activity
relationships. J. Pharm. Sci. 59(6), 731-43 (1970).
0140 Hansch, C. and N. Cornell, Correlation of chaotropic effects of
haloacetates with the hydrophobic parameter. Archives Biochem.
Biophysics 151(1), 351-2 (1972).
0141 Hansch, C., J-L. Coubeils, and A. Leo., The antimicrobial
structure-activity relationship in esters of 4-hydroxybenzoic acid.
Chimls Tharapeutlque (6), 427-33 (1972).
0142 Hansch, C. and E.W. Deutsch, The structure-activity relationship In
penclllins. J. Med. Chem. 8, 705-6 (1965).
0143 Hanach, C. and E.W. Deutsch, The structure-activity relationship
In amides inhibiting photosynthesis. Blochim. Biophys. Acta
112(3), 381-91 (1966).
0144 Hanach, C. and E.W. Deutsch, The use of substituent: constants in the
study of structure-activity relationships in cholinesteraae inhibitors.
Bidchim. Biophys. Acta 126, 117-28 (1966).
0145 Hansch, C., E.W. Deutsch and R.N. Smith, The use of substituent
constants and regression analysis in the study of enzymatic
reaction mechanisms. J. Am. Chem. Soc^ 87(12), 2738-42 (1965).
0146 Hansch, C. and W.J. Dunn, III, Linear relationships between
lipophilic character and biological activity of drugs. J. Pharm.
Sci. 61(1), 1-19(1972). , ,
0147 Hansch, C. and T. Fujita, Rho-slgma-pi analysis. A method for the
correlation of biological activity and chemical structure. J. Am.
Chem. Soc. 86, 1616-26 (1964). '
0148 Hansch, C. and W.R. Glave, Structure-activity relationships in
membrane-perturbing agents. Hemolytlc, narcotic, and antibacterial
compounds. Mol. Pharm. 7(3), 337-54 (1971).
0149 Hansch, C. and W.R. Glave, Directional nature of hydrophobic bonding
in phenethanolamlne N-methyItransferase inhibitors. J. Med.
Chem. 15(1), 112-13 (1972).
49
-------
0150 Hansch, C. and F. Helmer, Extrathermodynamic approach to the study
of the adsorption of organic compounds by macromolecules, J.
Polymer Scl. Pt. A-l 6(12), 3295-3302 (1968).
0151 Hansch, C. and R. Kerlay, Interrelation between the extended Hammett
equations for correlation of homolytlc and heterolytlc reactions.
Chem. Ind. 294-5 (1969).
0152 Hansch, C., K. Klehs and 6.L. Lawrence, The role of substituents
in the hydrophoblc bonding of phenols by serum and mitochondrial
proteins. J. Am. Chem. Soc. 87(24), 5770-3 (1965).
0153 Hansch, C., K.H. Kim, and R.H. Sarma, Structure-activity relationship
in.benzamides inhibiting alcohol dehydrogenase. J. An. Chem. Soc.
95(19), 6447-9 (1973). :
0154 Hansch, C., E. Kutter, and A. Leo, Homolytlc constants in the
correlation of chloramphenlcol structure with activity. J. Med.
Chem. 12, 746-9 (1969).
0155 Hansch, C., A. Leo, and D. Elklns, Computerized management of structure
activity data. I. Multivariate analysis of biological data. J.
Chem. Doc. 14(2), 57-61 (1974)
, C
? f
0156 Hansch, C. and E.J. Lien, An analysis of structure-activity
relationship in the adrenergic blocking activity of the
beta-haloalkylamlnes. Biochem. Pharm. 17, 709-20 (1968).
/ '
0157 Hansch, C. and E.J.C. Lien, Structure-activity relationships In
antifungal agents. A survey, J. Med. Chem. 14(8), 653-70
(1971).
0158 Hansch, C. E.J. Lien, and F. Helmer, Structure-activity correlations
in the metabolism of drugs. Archives Biochem. Biophys. 128, 319-30
(1968).
0159 Hansch, C., P.P. Maloney, T. Fujita and R. Muir, Correlation of
biological activity of phenoxyacetic acids with Hammett substituent
constants and partition coefficients. Nature 194(4824), 178-80
(1962).
i
i
0160 Hansch, C., R.M. Mulr, T. Fujita, P.P. Maloney, F. Geiger and M.
Streich, The correlation of biological activity of plant growth
regulators and chloromycetin derivatives with Hammett constants
and partition coefficients. J. Am. Chem. Soc. 85(18), 2817-24
(1963).
0161 Hansch, C., A. Leo, S.H. Unger, K.H. Kim, D. Nikaitani, and E.J.
Lien, "Aromatic" substituent constants for strucute-activity
correlations. J. Med. Chem 16 (11), 1207-16 (1973). :;
0162 Hansch, C., K. Nakamoto, M. Gorin, P. Denlsevlch, E.R. Garret, 3.M.
Heman-Ackah and C.H. Won, Structure-activity relationship of.
chloramphenicols. J. Med. Chem. 16(8), 917-22 (1973).
50
-------
0163 Hansch, C., J. E. Quinlan, and G.L. Lawrence, The linear free-energy
relationship between partition coefficients and the aqueous solubility
of organic liquids. J. Org, Chem. 33(1). 347-50 (1963).
0164 Hansch, C., N. Smith, R. Engle, and H. Wood, Quantitative structive-
actlvity relationships of antineoplastic drugs: Nitrosoureas and
triazenoiaidazoles. Cancer Chemother. Rep. Ft. 1, 56(4), 443-56 (1972)
0165 Hanech, C., J. Schaeffer, and R. Kerley, Alcohol dehydrogenase
structure-activity relationships. J. Blol. Chem. 247(14), 4703-10
(1972).
0166 . Hansch, C. and A. R. Steward, The use of substituent constants in
the analysis of the strucuture-activity relationship in penicillin
derivatives. J. Med. Chem. 7(6), 691-4 (1964).
0167 Hansch, C., A.R. Steward, S.M. Anderson,'and D. Bentley, The
parabolic dependence of drug action upon lipophllic character as
revealed by a study of hypnotics. J. Med.1 Chem. 11(1), 1-11 (1967).
0168 Hansch, C., A.R. Steward, and J. Iwasa, The use of substituent
constants in the correlation of denethylation rates. J. Med. Chem.
8, 868-70 (1965).
0169 ; Hansch, C., A.R. Steward and J. Iwasa, The correlation of localization
rates of benzeneboronlc acids in brain and*tumor tissue with
substituent constants. Mol. Pharmacol. 1(1), 87-92 (1965).
0170 Hansch, C., A.R. Steward, J. Iwasa and E.W. Deutsch, The use of a
hydrophobic bonding constant for structure-activity correlations.
Mol. Pharmacol. 1(3), 205-13 (1965).
0171 Hansch, C., S.H. Unger and A.B. Forsythe, Strategy in drug design.
Cluster analysis as an aid in the selection of substituents. J.
Med. Chem. 16(11), 1217-22 (1973).
0172 Hansch, C. and K.N. von Kaulia, Fibrinolytic congeners of benzole
and salicyclic acids. A mathematical analysis of correlation
i between structure and activity. Biochem. Pharm. 19(7), 2193-
2200 (1970) .
0173 Hansen, O.R., Hammett aeries with biological activity. Acta Chem.
Scand. 16(7) 1593-1600 (1962). ,
0174 Harms, A.F., and W.Th. Nauta, The effects of alkyl substitution in
drugs-I. Substituted dimethylamlnoethyl benzhydryl ethers. J.
Med. Pharm. Chen. 2(1), 57-77 (1960). '
0175 Hatanaka, M. and T. Ishimaru, Synthetic penicillins. Heterocyclic
analogs of amlplcllln. Structure-Activity relations. J. Med.
Chem. 16(9), 978-84 (1973).
'" . i i
0176 Hawes, E.M., D.K.J. Gorecki and D.D. Johnson, 2,3-Disubstituted 1,6-
naphthyrldlnes as potential diuretic agents J. Med. Chem. 16(7),
84-9-53 (1973).
51
-------
0177 Heathcote, J.G. awl J.R. Hibber
:, Biological acitivity and
electronic structure of the afla toxins. Br. J. Cancer 29(6),
470-6 (1974).
0178 Helmer, F., K. Kiehs and C. Hansch, The linear frae-energy
relationship between partition coefficients and the binding
and conformational perturbation of macronolecules by small organic
compounds. Biochem. 7(8), 2858-63 (1968).
0179 Hemker, H.C., Lipid solubility as a factor influencing the activity
of uncoupling phenols. Biochlm. Biophys. Acta 63, 46-54 (1962).
0180 Hermann, R.B., H.W. Gulp, R.E. McMahon, and M.M. Marsh, Structure-
activity relationships among substrates for a rabbit kidney
reductase. Quantum chemical calculation of substituent parameters.
J. Med. Chem. 12(5), 749-54 (1969).
! . •
0181 Hersch, L., The interaction of local anesthetics with lecithin
monolayers. Mol. Pharmacol. 3, 581-5 (1967).
0182 Higuchl, T. and S.S. Davis, Thermodynamlc analysis of structure-
activity relationships of drugs: Prediction of optimal structure.
J. Pharm. Sci. 59(10), 1376-83 (1970). :
• t
0183 Hirano, K., S. Yoshina, K. Okamaru and I. Suzuka, Electronic aspect
of the antibacterial activity of nltrofuran derivatives. Bull. Chem.
Soc. Jap. 40(10), 2229-33 (1967).
0184 Hjort, A.M., E.J. DeBeer, J.S. Buck, and 8. Johannes, and W.S. Ide,
Some unsymmetrical alkylaryl ureas: Preparation, physical properties
and hypnotic effects. J. Pharm. Exp. Ther. 55(2), 152-72 (1935).
0185 Ho, B.T., K. Li, K.E. Walker, L.W. Tansey, P.M. Kralik and W.M.
Mclssac, Inhibitors of monoamine oxldase VI: Effects of substitution
on inhibitory activity of 6(or 8)-substituted -carbolines. J. Pharm.
Sci. 59(10), 1445-8 (1970).
0186 Hoeschele, J.D., Structure-activity relationships for antitumor
active platinum (II) complexes. 168th Nat'l Meet. Am. Chem. Soc.
Atlantic City, New Jersey Sept. 8-13, 1974.
I -t
0187 Holtje, H-D. and L. B. Kier, A theoretical approach to structure-
activity relationships of chloramphenicol and congeners. :J. Med.
Chem. 17(8), 814-9 (1974).
0188 Huang, M. and J.N. Daly, Accumulation of cyclic adenosine monophosphate
in Incubated slices of brain tissue. I. Strucure-activity relationships
of agonists and antagonists of blogenic amines and of trlcycllc
tranquilizers and antldepreasants. J. Med. Chem. 15(5), 458-62
(1972). :
0189 Hudson, D., G.E. Bass, and W.P. Pure ell, Quantitative structure-
activity models, some conditions for 'application and statistical
interpretation. J. Med. Chem. 13(6), 1184-9 (1970). :
52
-------
0190 Hulbert, P.B., E. Sueding and C.H. Robinson, Structure and
.; antischistosomal activity in the nitrofuran series. Requirement
for a 5-nitro-2-furyl-vinyl moiety based on comparison of 3-
r (5-nitro-2-furyl)-substituted propionic, acrylic, and propiolic
acid derivatives. J. Mad. Chem. 16(1), 72-8 (1973).
0191 Ichikawa, Y. and T. Yams.no, The role of the hydrophobia bonding
in P-450 and the effect of organic compounds on the conversion of
P-450 to P-420. Biochlm. Blophys. Acta 147, 518-25 (1967).
0192 Ishlda, S., Study on the correlation of chemical structure and
ovicidal activities of 2-bromoethylthiobenzenes. Part 1. The
selective toxicity of 2-bromoethylthiobenzenes to the eggs of
tetranychus telarlus (Linne). Agr. Biol. Chem. 30(8), 800-6
(1966).
0193 Ishida, S. and M. Ida, Study on the correlation of chemical structure
and ovicidal activities of 2-bromo ethyl thiobenzenes. Part II.
Comparative study of hydrolysis rate and ovicidal activity. Agr.
Biol. Chem. 31(4), 410-6 (1967).
0194 Ishlda, S. and 0. Yamada, Study on the correlation of chemical
structure and ovicidal activities of 2-bromoethylthiobenzenes.
Part III. Comparative study of rate of alkylating reaction and
ovicidal activity. Agr. Biol* Chem. 31(4), 417-21 (1967).
0195 Janssen, P.A.J., C.J.E. Niemegeers and K.H.L. Schellelcens, Is it
possible to predict the clinical effects of neuroleptic drugs
(major tranquillizers) from animal data: Part I: Neuroleptic
activity spectra for rats. Arzneim.-Forach. 17(2), 104-17 (1965).
0196 Janssen, P.A.J., C.J.E. Niemegeers, K.H.L. Schellekens, and F.M.,
Lenaerts, !• it possible to predict the clinical effects of
neuroleptic drugs (major tranquillizers) from animal data: Part
IV: An improved experimental design for measuring the inhibitory
effects of neuroleptic drugs on amphetamine or apomorphine-lnduced
"Chewing" and "Agitation" in rats. Arzneim.-Forsch. 17(7),
844-54 (1967).
0197 Javldan, S. and R.G. Mrtek, Microbiological determination of drug
partitioning II; Functional dependence of partition coefficient
on drug concentration. J. Pharm. Scl. 62(3), 420-3 (1973).
/
0198 Javidan, S. and R.G. Mrtek, Microbiological determination of drug
partitioning III: Partition coefficient profiles of several
antimicrobial agents. J. Pharm. Scl. 62(3): 424-35 (1973).
0199 Juby, P.F., W.R. Goodwin, T.W. Hudyma, and R.A. Partyka, Antiinflammatory
activity and structure-activity relationships of some 1,2,3,4-
tetrahydro-1-naphthoic acids and related compounds. J. Med. Chem.
15(12), 1306-10 (1972) .
-------
0200 Kaiser, C., C.A. Leonard, G.C. Hell, B.M. Lester, D.H. Tedeschi, and
C.L. Zirkle, Synthesis and anorectic activity of some 1-
benzylcyclopropylamines. J. Med. Chem. 13(5), 820-6 (1970).
i 1 _ ' ' .'
0201 Kaiser, C., A.M. Pavloff, E. Garvey, P.J. Fowler, D.H. Tedeschl,
C.L. Zirkle, E.A. Nod iff, and J. Saggiono, Analogs of phenothiazines.
4. Effect of structure upon neuropharmacqlogical activity of some
chlorpromazine analogs of the diphenylmethane type. J. Med. Chem.
15(6), 665-73 (1972).
0202 Kaiser, C., D.H. Tedeschi, P.J. Fowler, A.M. Pavloff, B.M. Lester,
and C.L. Zirkle, Analogs of phenothiazines. 3. Synthesis and
potential antidepressant activity of some phenothiazine derivatives
and related compounds containing a carbocycllc basic side'chain.
J. Med. Chem. 14(3), 179-86 (1971). '
I
i
0203 Kakeya, N., N. Yata, A. Kamda, and M. Aokl, Biological activities
of drugs. VIII. Structure-activity relationship of sulfonamide
carbonic anhydrase Inhibitors. Chem. Pharm. Bull. 17(12),
2558-64 (1969) . '.
0204 Kamrln, M., W.F. Bertsch, and R.F. Wood, Anil ides and phenylureas:
Correlation between calculated pi-electron structure and inhibition
of photosynthesis. Proc. Nat. Acad. Sci. U.S. 53, 1118-26 (1965).
0205 Kang, S. and D.L. Beverldge, Molecular orbital aspects of substituent
effects. Theoret. Chim. Acta 22, 312-4 (1971).
0206 Kang, S. and J.P. ,Green, Resonance constants and the activities of-
indolealkylamlnes on stomach muscle. Nature 222(56264), 794-5
(1969).
0207 Kang, S. and J.P. Green, Correlation between activity and electronic
state of hallucinogenic amphetamines. Nature 226(5246), .645 (1970).
0208 Katz, R., S.R. Heller and A.E. Jacob son, A molecular orbital study
of noreplnephrine and 3,4-dihydroxphenethylamine: a re-evaluation
of structure-activity relationships in norepinephrine. Mol.
Pharmacol. 9, 486-94 (1973). , , . .
0209 Katz, R. and A.E. Jacobson, Chemical structure-activity correlation
In the 0-methylatlon of substituted ca tec hols by ca tec hoi 0-
methyltransf erase. Mol. Pharmacol. 8(!5),i 594-9 (1972) .
0210 Katz, R. and A.E. Jacobson, A molecular orbital study of 2,4,5-
trlhydroxyphenethylamlne and related polyhydroxphenethylamlnes.
Mol. Pharmacol. 9, 495-504 (1973).
0211 Kensler, C.J., C.L. Zirkle, A. Marallana, and G. Condouris, The
selective anti-cholinergic activity of aliphatic tr is -qua ternary
ammonium compounds. J. Pharmacol. Exp. Therap. 112(2), 210-7
(1954).
54
-------
0212 Klehs, K., C. Hansch and L. Moore, The role of hydrophobia binding
of organic compounds by borlne hemoglobin. Biochem; 5(8),
; ;• 2602-5 (1966).
0213 Kier, L.B., J.M. George, and H-D Holtje, Structure-activity
studies on gamma-aminobutyric acid like agenti. J. Pharm. Scl.
63<:?), 1435-9 (1974).
0214 Kim, S.J. and B.M. Anderson, Properties of the nicotinamide
' adenlne dinucleotide-binding Sites of alpha-Glycerophosphate
\ dthydrogenase. J. Biol. Chen. 243(12), 3351-6 (1968),
0215 Kopecky, J., K. Bocek and D. Vlachova, Chemical structure and
biological activity on m-and p-disubstituted derivatives of benzene.
Nature 207(5000), 981 (1965). {
0216 Korytnyk, W., S.C. Srivastava, N. Angelino, P.G.G. Potti, and B.
Paul, A general method for modifying the 2-methyl group of
pyridoxol. Synthesis and biological activity of 2-vinyl-and
2-ethynylpyrldoxDls and related compounds. J. Med. Cham. 16(10),
1096-1101 (1973).
0217 Kowalski, B.R. and C.F. Bender, Pattern recognition. A powerful
approach to interpreting chemical data. J. Am. Chem. Soc. 94(16),
5632-9 (1972).
0218 Kowalski, B.R. and C.F. Bender, The application of pattern
recognition to screening prospective antlcancer drugs.
Adenocarcinoma 755 biological activity test. J. Am. Chem. Soc.
96(3), 916-8 (1974).
1 • ' i ''"''. :
0219 Kruger-Thiemer, E. and P. Bunger, The role of the therapeutic regimen
in dosage design. Chemotherapla 10(2), 61-73 (1965-66).
• . .-.'.'• ' i i './''•
0220 Kruger-Thiemer, E. and P. Bunger, The role of the therapeutic regimen
In dosage design. Part II. Chemotherapla 10(3), 129-44 (1965-66).
0221 Kuchar, M., B. Bruno va, V. Re J ho lee and V.Rabek, Relationship between
paper chroma to graphic Rm values and Hansch1 s pi parameters In
dissociable compounds. J. Chroma to graphy 92,381-9 (1974).
0222 Kupchan, S.M. and H.W. Atland, Structural requirements for tumor-
inhibitory activity among benzylisoquincline alkaloids and related
synthetic compounds. J. Med. Chem. 16(8), 913-7 (1973).
0223 Kupchan, S.M., G. Bondesson, and A.P. Davles. Tumor inhibitors. 70.
Struc ture-cyto toxicity relationships among N-acyltriamlnes related to
solapalmitine. J. Med. Chem. 15(1), 65-8 (1972).
0224 Kutter, E., A. Herz, H.J. Teschemacher and R. Hess, Structure-activity
correlations of morphine-like analgetics based on efficiencies
following Intravenous and Intraventrlcular application. J. Med.
Chem. 13(5), 801-5 (1970). . »-i l
55
-------
I •• :
1 i •
0225 Lands, A.M. and M.L. Tainter, The effect of changes in molecular
configuration on inhibitory sympathomimetic action-.; Arch1. Expr.
Path. u. Pharmakol. 2]9, 76-90 (]953). >']
• ( ' • ;:r:: ':':.;/
0226 'Lawrence, W.H., G.E. Bass, W.P. Purcell and J. Autian,vUse of
mathematical models in the study of 8tructure-toxici.ty relationships
of dental compounds: I. Esters of acrylic and methacrylic acids.
J. Dent. Res. 5](2), 526-35 (]972). ;
"""•''- - V
0227 Lawrence, A.R. and L.N. Ferguson, Exploratory physicochemical studies
on the sense of taste. Nature ]83: ]469-7] (]959).
0228 Lawrence, A.R. and L.N. Ferguson, Dissociation constants pf some
sweet and tasteless isomeric m-nitroanilines. J. Org. Chem.
25,,]220-4 (]960). ;
0229 Leo, A., D. Elkins, and C. Hansch, Computerized management of
structure-activity data. II. Decoding and searching branching chains
and multiplied groups coded in WLN. J. Chem. Doc. ]4(2),, 6]-5 (]974).
0230 Leo, A. and C. Hansch, Linear free-energy relationships between
partitioning solvent systems. J. Org. Chem. 36(]]), ]539-44 (]97]).
023] Leo, A., C. Hansch, and C. Church, Comparison of parameters currently
used in the study of structure activity relationships. J. Med. Chem.
]2, 766-7] (]969).
0232 Leo, A., C. Hansch, and D. Elkins, Partition coefficients and their
uses. Chem. Rev. 7] (6), 525-6]6 (]97]>.
0233 Liebig, V.H., H. Pfetzing and A. Grafe, Experimental results with
purposely synthetized substances for antiviral chemotherapy. 2nd
Communication: Further 2-amino-4-phenylthiazoles, tetrahydrobenzthiazoles,
4-phenylimldazoles, and 8-hydroxyquinbliries. Arzneim. Forsen. 24(6),
887-92 (]974).
.-.•',)
0234 Lien, E.J., The use of substituent constants and regression analysis
in the study of structure-activity relationship. Amer. J. Pharm.
Educ. 33(3), 368-75 (]969). !
0235 Lien, E.J., Structure-activity correlations in fungitoxici-ty of imides
and their imide-SCCl3 Compounds. J. Agr. Food Chem. ].7(6),
J265-8 (]969).
0236 Lien, E.J., and G.A. Gudauskas, Structure side-effect sorting of
drugs I: Extrapyramidal syndrome. J. Pharm. Sci. 62(4), 645-7
(]973).
0237 Lien, E.J. and C. Hansch, Correlation of ratios of drug metabolism
by microsomal subtractions vith partition coefficients. J-. Pharm.
Sci. 57(6), ]027-8 (]968).
0238 Lien, E.J., C. Hansch and S.M. Anderson, Structure-activity correlations
for antibacterial agents on gram-positive and gram-negative cells.
J. Med. Chem. ]], 430-4] (]968).
\ •' '
56
-------
0239 : Lien, E.J., M. Hussain and G.L. Tong, Role of hydrophobic
interactions in enzyme Inhibition by drugs. J. Pharm. Sci. 59(6),
865-8 (]970).
0240 Lien, E.J. and W.D. Kumler, Dlpole moments and pharmacological
activity of cyclic ureas, cyclic thipureas, and the N,N-dimethylated
compounds. J. Med. Chem. ]], 2]4-9 (]968).
024] Lien, E.J., G.L. Tong, J.T. Chou and L.L. Lien, Structural requirements
for centrally acting drugs I. J. Pharm: Sci. 62(2), 246-50 (]973).
0242 Lindsay, R.H., H. Y. Aboul-Enein, D. Morel, and S. Bowen, Synthesis
and antiperoxidase activity of propy^thipuracil derivatives and
metabolites. J. Pharm. Sci. 63(9), ]383-6, (]974).
0243 Yamamoto, T. and T. Otsu, Effects of substituents in radical reactions:
Extension of the Hammett equation. Chem. Ind., 787-9 (1967).
0244 Loev, B., E. Macko, and I.M. Fried, Malonamic esters. A new class
of sedatlve-tranquilizers. J. Med. Chem. ]2, 854-9 (]969).
0245 Loew, G., J. Trudell and H. Motulsky, Quantum chemical studies
of the metabolism of a series of chlorinated ethane anesthestics.
Mol. Pharmacol. 9, ]52-62 (]973).
0246 Martin, Y.C., Electronic factors in drug-receptor interactions.
J. Med. Chem. ]3, J45-7 (]970).
0247 Martin, Y.C., T.M. Bustard, and K.R. Lynn, Relationship between
physical properties and antimalarlal activities of ],4-
naphthoquinones. J. Med. Chem. ]6(]0), ]089-93 (]973).
0248 Martin, Y.C., J.B. Holland, C.H. Jarboe, and N. Plotnikoff,
Discriminant analysis of the relationship between physical properties
and the inhibition of monoamine oxidase by aminotetralins and
aminolndans. J. Med. Chem. ]7(4), 409-]3 (]974).
0249 Martin, Y.C., P.H. Jones, T.J. Perun,
-------
0253 McGowan, J.C., The physical toxicity of chemicals. IV. Solubilities,
partition coefficients and physical toxicities. J. Appl. Chem.
4, 41-7 (1954). * . ;
0254 McGowan, J.C., Partition coefficients and biological Activities.
Nature 200(4913), 1317 (1963). .
0255 Metcalf, R.L. and T.R. Fukoto, Meta-sulfurpentafluorophenyl
dlethyl phosphate and meta-sulfur-pentafluorophenyl N-methylcarbamate
as insecticides and anticholinesterases. J. Econ. Entomol. 55(3),
340-1 (1962). -
0256 Metcalf, R.L. and T.R. Fukuto, Carbamate insecticides. Effects of
chemical structure on intoxication and detoxlcation of phenyl
N-methylcarbamates in insects. J. Agr. Food Chem. 13(3), 220-231
(1965).
0257 Metcalf, R.L. and T.R. Fukoto, Some effects of molecular structure
upon aatlcholinesterase and insecticldal activity of substituted
phenyl N-methylcarbamates. J. Agr. Food Chem. 15(6), 1022-9
(1967) .
0258 Meyer, H., Theory of alcohol narcosis. On what property of the
anesthetic does narcotic action depend? Arch. Expt. Pathol.
Pharmakol. 42, 110-8 (1899).
0259 Meyerhoffer, A., Absolute configuration of 3-quinuclidlnyl benzilate
and the-behavioral effect in the dog of the optical isomers. J.
Mad. Chem. 15(9), 994-5 (1972).
0260 Pala, G., S. Casadlo, A. Manteganl, G. Bonardl, and G. Coppi,
Terpene compounds as drugs. II. Anabolic 19-nortestosterone
terpenoates. J. Med. Chem. 15(9), 995-8 (1972).
0261 Minoli, G., E. Marazzi-Uberti, and S. Casadlo, Terpene compounds
as drugs. 14. terpenyl carbamates as central nervous system
depressants. J. Med. Chem. 15(9), 998- (1972). ,
0262 Milborrow, B.V., and D.A. Williams, A re^examinatlon of the
penetration of nitella cells by by non-electrolytes. Physlologla
Plant. 21, 902-9 (1968).
0263 Miller, G.H., P. H. Doukas and J. K. Seydel', Sulfonamide structure-
activity relationship In a cell-free system. Correlation of
Inhibition of folate synthesis with antibacterial activity and
physicochemical parameters. J. Med. Chem. 15(7), 700-6 (1972),.
0264 Miller, E. and C. Hansch, Structure-activity analysis of
tetrahydrofolate analogs using substituent constants and regression
analysis. J. Pharm. Sci. 56(1), 92-7 (1967).
58
-------
0265 Hitscher, L.A., P.W. Howl son, J.B. LaPldua, and T.D. Sokoloski,
Circular dlchrolsm studies of aryl dlsastereolsomers. 2.
Dependence of Lb transition sign upon the nature of the para
substltuent In various chloramphenicol derivatives. J. Med.
Chem. 16(2), 93-7 (1973).
0266 Montgomery, J.A., J.G. Mayo, and C. Hansch, Quantitative
structure-activity relationships In antlcancer agents. Activity
of selected nitrosoureas against a solid tumor, the Lewis lung
carcinoma. J. Med. Chem. 17(5), 477-80 (1974).
0267 Morrison, D.G., On the Interpretation of discriminant analysis.
J. Marketing Res. 6, 156-63 (1969).
0268 Muix, R.M., T. Fujita and C. Hansch, Structure-activity
relationship in auxin activity of mono-substituted phenylacetic
acids. Plant Physiol. 42, 1519-26 (1967).
0269 Muir, R.M. and C. Hansch, Chemical constitution as related to
growth regulator action. Ann. Rev. Plant Physiol. 6, 157-77
(1955).
0270 Mullins, L.J., Some physical mechanisms in narcosis. Chem. Rev.
54, 289-323 (1954) .
0271 Nagata, C., T. Yonezawa, K. Fukui and Y. Tagashira, Electronic
structure and carcinogenic activity of aromatic compounds I.
Condensed aromatic hydrocarbons. Cancer Res. 15, 233-9
(1955).
0272 Nakanishi, M., T. Tahara, K. Arakl, M. Shlroki, T. Tsumagari and Y.
Takigawa, Studies of psychotropic drugs. 18. Synthesis and
structure-activity relationships of 5-phenyl-l,3-dlhydro-2H-
thieno ±2,3-el ±1,41 dlazepln-2-ones. J. Med. Chem. 16(3),
214-9 (1973). * •
0273 Neely, W.B., The use of molecular orbital calculations as an aid
to correlate the structure and activity of choiinesterase inhibitors.
Mol. Pharmacol. 1, 137-44 (1965). '
0274 Neely, W.B., Quantitative structure-activity analysis in drug design.
Chem. Tech., 573-6 (1973).
0275 Neely, W.B., W.E. Allison, W.B. Grummett, K. Kauer and W. Relfschnelder,
Structure-activity analysis of some 0,0-Dia^.kyl (p-methylthio,
p-methylsulfonyl) phenyl phosphates and phosphorothloates prepared
for their insecticldal activity. J. Agr. Food Chem. 18(1), 45-9
(1970).
0276 Neely, W.B., H.C. White, and A. Rudzlk, Structure-activity relations
In an ioidazoline series prepared for their analgesic properties.
J. Pharm. Sci. 57(7), 1176-9 (1968).
59
-------
0277 Neely, W.B. and W.K. Whitney, Statisical analysis of insecticidal
activity in a series of phosphoramidates. J. Agr. Food Chen. 16(4),
571-3 (1968).
0278 Newhall, W.F., Effect of phenyl substituents in benzyl quaternary
ammonium derivatives of (•!•)-1 inonene on plant growth-retardant
activity. J. Agr. Food Chen. 19(2), 294-7 (1971).
0279 O'Brien, R.D., B.D. Hilton and L. Gilmour, The reaction of
carbamates with cholinesterase. Mol. Pharm. 2, 593-605 (1966).
0280 Olson, W.P. and R.D. O'Brien, The relation 'between physical
properties and penetration of solutes into the cockroach cuticle.
J. Insect Physiol. 9, 777-86 (1963).
0281 Omura, S., M. Tishler, A. Nakagawa, Y. Hironaka and T. Hata,
Relationship of structures and microbiological activities of.the
16-membered macrolides. J. Med. Chem. 15(10), 1011-15 (1972).
0282 Ostrenga, J.A., Correlation of biological activity with chemical
structure. Use of molar attraction constants.. J. Med. Chem.
12(2), 349-52 ,(1969).
0283 Penniston, J.T., L. Beckett, D.L. Bentley, and C. Hansch, Passive
permeation of organic compounds through biological tissue: a
non-steady-state theory. Mol. Pharm. 5, 333-41 (1969).
0284 Poliakoff, N., S.M. Albonico. M. Alvarez, J.G. Pecca and M.J.
Vernengo, Synthetic trypanocldes. 3. Structure activity relationships.
J. Med. Chea. 16(12), 1411-12 (1973).
0285 Portoghese, P.S., Relationships between sterostructure and
pharmacological activities. Ann. Rev Pharmacol. 10, 51-76 (1970).
0286 Powers, L.J. and M.P. Mertes, Antibacterial activity of nitrobenzofurans.
J. Med. Chem. 13(6), 1102-5 (1970) .
0287 Prates!, P., Chemical structure and biological activity of catecholamines,
Int. Symp. Pharm. Chem. (1962), 435-49 (1963).
0288 Pratesi, P. and E. Grana, Structure and activity at adrenergic
receptors of catecholamines and certain related compounds. Adv.
Drug Res. 2, 127-42 (1965) .
0289 Pratesi, P., L. Villa, and E. Grana, Physico-chemical requirements
for beta-sympatholytic action. II Farmaco 2i(6), 409-12 (1966).
0290 Pullman, B. and P. Courrlere, On the conformation of acetylcholine
and acetylthiochollne. Mol. Pharm. 8, 371-3 (1972).
60
-------
0291 Pullman,' B., J-L. Coubeils, Ph. Courriere, and J-P. Gervois,
Quantum mechanical study of the conformatlonal properties of
phenethylamines of biochemical and medicinal Interest. J. Med. Chem.
15(1), 17-23 (1972).
0292 Pullman, B. and Ph. Courrlere, Further molecular orbital studies
on the conformation of acetylcholine and its derivatives. Mol.
Pharm. 6, 612-22 (1972).
0293 Pullman, B., Ph. Courrlere and J.L. Coubeils, Quantum mechanical
study of the conformatlonal and electronic properties of
acetylcholine and Its agonists muscarlne and nicotine. Mol.
Pharm. 7, 397-405 (1971).
0294 Pullman, A. and B. Pullman, Electronic structure and carcinogenic
activity of aromatic molecules. New Developments. Adv. Cancer Res.
3, 117-69 (1955).
0295 Purcell, W. P., Electric moment measurement of n-alkyl-substituted
nicotinamldes and calculation of aromatic amide group moments. J.
Phys. Chem. 68(9), 2666-70 (1964).
0296 Pureell, W.P., Chollnesterase inhibitory prognoses of thirty-six
alkyl substituted 3-carbamoylplperldines. Biochim. Biophys.
Acta 105, 201-4 (1965).
0297 Purcell, W.P., Application of partition coefficients, electric
moments, electronic structures, and regression analyses to the
interpretation of chollnesterase inhibition. Proc. Conf. on
Structure and Reactions of DFP sensitive enzymes. Stockholm, Sept.
5-7, 1966, :97-102.
0298 Purcell, W.P., J.G. Beasley, and R.P. Quintana, Electric moments
and cholinesterase Inhibitory properties of selected N-alkyl
substituted amides. Biochim. Biophys. Acta. 88, 233-5 (1964),
0299 Purcell, W.P., J.G. Beasley, R.P. Quintana and J.A. Singer, Application
of partition coefficients, electric moments, electronic structures,
and free-energy relationships to the interpretation of chollnesterase
inhibition. J. Med. Chem. 9, 297-303 (1966).
0300 Purcell, W.P. and G.M. Clayton, Application of regression analyses
to ant1tumor activities of various acetylanic carbamates. J. Med.
Chem. 11(2), 199-203 (1968).
0301 Purcell, W.P. and J.M. Clayton, Chapter 28. Physiochemical parameters
in drug design. Ann. Rept. Med. Chem. :314-21 (1969).
0302 Purcell, W.P. and J.A. Singer, Electric moment of isonicotinamlde
In benzene and dloxane solutions. J. Phys. Chem. 69, 691-3 (1965).
61
-------
0303 Purcell, W.P., and J.A. Singer, Benzene and dioxane electric moments
of n-alkyl-substituted nicotinamides from measurements in mixed
benzene-dioxane solutions. J. Phys. Chem. 69, 4097-4101 (1965).
• • . 1
0304 Purcell, W.P. and J.A. Singer, Electric dipole moments of n-alkyl-
nlpecotamldes from measurements in benzene solution. J. Chem.
Soc. Sect. A, 1431-4 (1966).
0305 Raaflaub, J., The relationship between lipid solubility of drugs
and their pharmacokinetic behavior. Experlentia 26(5), 457-67
(1970). . • ,. •
0306 Robinson, C.H., E. Bueding, and J. Fisher, Relationship between
structure, conformation, and antischistosomal activity of
nitroheterocyclic compounds. Mol. Pharm. 6, 604-16 (1970). »
0307 Robinson, C.H., S. Spengel and E. Bueding, Structure and
antischistosomal activity In the nitrofuran series. Requirement
for a 5-nitro group in 3-(5-nitro-2-furyl) acrylic acid
derivatives. J. Med. Chem. 16(1), 79-80 (1973). 1
0308 Rogers, K.S. and A. Cammarata, A molecular orbital description of
the partitioning of aromatic compounds between polar and nonpblar
phases. Biochim. Biophys. Acta 193, 22-9 (1969). '
0309 Rosen, O.M., J. Erllchman and S.M. Rosen, The structurre-activity
relationships of adrenerglc compounds that act on the adenyl cyclase
of the frog erythrocyte. Mol. Pharm. 6, 524-31 (1970).
0310 Ross, E.J., The transfer of non-electrolytes across the blood-
aqueous barrier. J. Physiol. 112, 229-37 (1951).
0311 Scholtan, W., The hydrophobia binding of drugs on human albumin and
ribonucleic acid. Arzneimittel-Forsch. 18(5), 505-17 (1968).
0312 Schwartz, I., Quantitative structure-biological activity relationships.
Internatl. Chem. Eng. 14(2), 278-92 (1974).
0313 Seydel, J.K., Prediction of in vitro activity of sulfonamides, using
Hammett constants or spectrophotomeric data of the basic amines for
calculation. Mol. Pharm. 2, 259-65 (1966). -6
0314 Seydel, J.K., E. Kruger-Thiemer and E. Wempe,' Relations between
the antibacterial activity and the infrared (IR) absorption bands
of sulfanilamide. Z. Naturforsch. 15b, 628-41 (1960).
1
0315 Shemisa, O.A. and L.A. Fahlen, Modifications of glutamate dehydrogenase
by various drugs which affect behavior. Mol. Pharm. 7, 8-25 (1971).
0316 Shemyakin, M.M., M.N. Kolosov, M.M. Levitov, 'K.I. Germanova, M.&.
Karapetyan, Yu. B. Shevetsov and E.M. Bamdas. The chemistry of
chloromycatin (levomycetln) VIU, The dependence of fhi aPHsieFP-
bisi activity of chioromycetlrt on its structure and the mechanism
of chioromycetin action (1). J. Gen. Chem. USSR 26(3), 885-93'(1956).
62
-------
0317 Shorter, J., The separation of polar, steric, and resonance effects
In organic reactions by the use of linear free energy relationships.
.Quart. Rev. 24, 433-53 (1970). ;
0318 Singer, J.A. and W.P. Pureell, Relationships among current quantitative
structure-activity models. J. Med. Chem. 10, 1000-2 (1967).
0319 Smith, R.N. and C. Hansch, Hydrophobic interaction of small
molecules with chymotrypsin. Biochemistry 12, 4924-37 (1973).
0320 Smlthfield, W.R. and W.P. Purcell, Application of regression analysis
to hypoglycemlc activities of 12 pipevidinesulfamyl semlcarbazldes
and activity predictions for 12 analogs. J. Pharm. Sci. 56(5):
577-9 (1967) .
0321 Snel, M., B. Von Schmeling and L.V. Ed ing ton, Fungitoxicity and
structure-activity relationships of some oxathlin and thiazole
derivatives. Phytopath. 60: 1164-9(1970).
0322 Soloway, S.B., Correlation between biological activity and molecular
structure of the cyclodiene insecticides. Adv. Pest. Control Res.
6:85-126(1965).
0323 Soloway, A.H., B. Whitman and J.R. Messer, Penetration of brain and
brain tumor by aromatic compounds as a function of molecular substituents.
J. Pharoacol. Gxp. Ther. 129, 310-4 (1960).
0324 Sram, R.J., The structure vs. activity relationship of alkylaminoazlrldines
to dominant lethala in mice. Genetics 68, S65-6 (1971) .
0325 Sram, R.J. and Z. Zudova, The relationship of the mutagenic activity
and chemical structure of alkylaminoaziridines. Mutat. Res. 21(1),
49-50 (1973).
0326 Stermitz, F.R., K.A. Larson and D.K. Kim, Some structural relationships
among cytotoxlc and antitumor benzophenanthridlne alkaloid derivatives.
J. Med. Chem. 16(8), 939-40 (1973).
0327 Suter, C.M., Relationships between the structures and bactericidal
properties of phenols. Chem. Rev. 28, 269-99 (1941).
0328 Swain, C.G. and E.C. Lupton, Jr., Field and resonance components of
substituent effects. J. Am. Chem. Soc. 90(16), 4328-37 (1968).
0329 Sweet, R.M. and L.F. Dahl, Molecular architecture of the cephalosporins.
Insights Into biological activity based on structural investigations.
J. Am. Chem. Soc. 92(18), 5489-5507 (1970).
0330 Swett, L.R., W.B. Martin, J.D. Taylor, G.M. Everett, A.A. Wykes and
Y.G. Gladlsh, Structure-activity relations In the paragyline series.
Ann, N,Y,
63
-------
0331 Tamm, I., K. Folkers, C.H. Shunk, D. Heyl, and F.L. Horsfall,
Inhibition of influenza virus multiplication by alky!
derivatives of benzlmidazole, III. Relationship between Inhibitory
activity and chemical structure. J. Exptl. Med. 98, 245-59
(1953).
0332 Cranfield, R., P.J. Goodford, F.E. Norrington, W.H.G. Richards,
G.-C. Bheppley and S.G. Williams, The Selection of arylamldlnourea
antlmalarials by their predicted physicochemlcal properties. Br.
J. Pharmac. 52(1), 87-92 (1974).
• ii
0333 Terada, H. and S. Muraoka, Physicochemlcal properties and uncoupling
activity of 3-substituted analogues of N-phenylanthranilic acid.
Mol. Pharm. 8, 95-103 (1972)
0334 Tollenaere, J.P., Structure-activity relationship of three groups
of. uncouplers of oxldative phosphorylation: Salicylanilides., 2-
trifluoromethylbenzimldazoles, and phenols. J. Med. Chem. 16(7),
791-6 (1973).
' ' ' - b
0335 Topliss, J.G. and R.J. Costello, Chance correlations In structure-
activity studies using multiple regression analysis. J. Med.
Chem. 15(10), 1066-8 (1972).
. J
0336 Topliss, J.G. and M. D. Yudis, Correlation of antihypertensive
activity with structure in a series of 2,H~l,2,4-benzothiadiazine
1,1-dioxides using the substituent constant approach. J. Med.
Chem. 15(4), 394-400 (1972).
0337 Topliss, J.G. and M.D. Yudls, Pi-Sustituent constants for the
2H-l,2,4-benzothiadiazine 1,1-dioxide system. J. Med. Chem.
15(4), 400-3 (1972).
0338 Turnbull, J.D., G.L. Biagi, A.J. Merola and D.G. Cornwell, Structure-
activity relationships for N,N-bis(dichloroacetyl) dlamlnes and
substituted naphthoquinones In the inhibition of mitochondrial
electron transport. Biochem. Pharm. 20, 1383-91 (1971) .
0339 lute, M.S., Principles and practice of Hansch analysis: A guide
to structure-activity correlation for the medicinal chemist.
Advances in Drug Research, N.J. Harper and A.B. Simmons, ed.<
vol. 6, Academic Press, New York, 1971, p. 1-77.
0340 Ugochukwu, E.N. and R.L. Wain, Studies on plant growth regulating
substances XXV. The plant growth regulating activity of cinnamic
acids. Ann. Appl. Biol. 61, 121-30 (1968).
0341 linger, S.H. and C. Hansch, On model building in structure-activity
relationships. A reexainitiation of adrenergic blocking activity
of beta-halo-beta-arylalkylaaines. J. Med. Chem. 16(7), 745-9 (1973).
, t
0342 Upshall, D.G. and T.W. Goodwin, Some biochemical Investigations
into susceptibility of barley varieties to DDT. J. Sci. Food Agr.
15, 846-55 (1964) . <
64
-------
0343 Vendenbelt, J.M., C. Hanach, and C. Church, Binding of apolar
molecules by serum albumin. J. Mad. Cham. 15(8), 787-9 (1972).
0344 van Rossum, J.M., The relation between chemical structure and
biological activity. J. Pheurm. Pharmacol. 15, 285-316 (1963).
0345 Veldstra, H., The relation of chemical structure to biological
activity In growth substances. Ann. Rev. Plant. Physiol. 4,
151-98 (1953).
0346 Warren, R.J., I.B. Eisdorfer, W.E. Thompson, and J.E. Zarembo,
Spectra-structure correlations of phenothiazlnes by Infrared,
ultraviolet, and nuclear magnetic resonance spectroscopy. J.
Pharm, Sci. 55(2), 144-50 (1966) .
0347 Weiner, M.L. and P.H. Weiner, A study of structure-activity of a
series dlphenylaminopropanols by factor analysis. J. Med. Chem.
16(6), 655-61 (1973).
0348 Werkheiser, W.C., C.B. Grind ey, R.G. Moran, and C.A. Nichol,
Mathematical simulation of the Interaction of drugs that Inhibit
deoxyribonucleic acid biosynthesis. Mol. Pharm. 9, 320-9 (1973).
0349 Weasels, J.S.C. and R. Van der Veen, The action of some derivatives
of phenylurethan and of 3-phenyl-l,l*dimethylurea on the Hill
reaction. Bloc him. Biophys. Acts 19, 548-9 (1956) .
0350 Weuffen, W. and P.M. Theus, A methodological contribution to the
determination of partition behavior of biologically active
compounds, in the benzene/water system. Z. Med. Labortech., 8(1),
6-15 (1967).
0351 Wiley, R.A., B.A. Faraj, A. Jantz and M.M. Hava, Influence of
stereochemistry and lipophilicity on biological activity of some
ganglionic blocking agents. J. Med. Chem. 15(4), 374-8 (1972)'.
0352 Wilkinson, C.F., K. Hetnarski, G.P. Cant well, and F.J. DiCarlo,
Structure-activity relationships in the effects of 1-alkylimldazoles
on mlcrosomal oxidation in vitro and in vivo. Biochem. Pharm.
23(17), 2377-86 (1974) .
0353 Wo hi, A.J., Electronic molecular pharmacology: The benrothiadiazine
antihypertensive agents. II. Multiple regression analyses relating
biological potency and electronic structure. Mol. Pharm. 6,
195-205 (1970).
0354 Wold, 8., A theoretical foundation of extrathermodynamic relationships
(linear free energy relationships). Chemica Scrlpta 5(3), •
97-106 (1974) .
0355 Wolff, M.E. and C. Hansch, Correlation of physlcochemical parameters
and biological activity in steroids. 9 substlted cortisol derivatives.
Experlentia 29(9), 1111-2 (1973).
65
-------
0356 Wolff, M.E. and C. Hansch, A quantitative reexamination of
structure-activity relationships In the delta 6-substituted
progesterone aeries. J. Med. Chem. 17(8), 898-900, 1974.
... r
0357 Yalkowsky, S.H. and G.L. Flynn, Transport of alkyl homologs '
across synthetic and biological membranes: A new model for
chain length-activity relationships. J. Pharm. Scl. 62(2):
210-7 (1973).
0358 Zlrkle, C.L., C. Kaiser, D.H. Tedeachl, R.E. Tedeschi and A.
Burger, 2-substituted cyclopropylamines. II. Effect of structure
upon monoatnine oxldase-lnhibitory activity as measured in vivo
by potentlatlon of tryptamlne convulsions. J. Med. Pharm. Chem.
5, 1265-84 (1962) .
0359 Adamson, G.W. and J.A. Bush, Method for relating the structure
and properties of chemical compounds. Nature 248, 406-7 (1974) .
0360 Atkins, M.I., Some aspects of the pattern recognition problem.
Dissert. Abst. Internat. 35(3), 1229-B (1974).
0361 Blllman, J.H. and G.R. Roehrig, Preparation of 4-[p-[bia !
(2-chloroethyl) amlno) amlnol phenyll butyramldes as potential
antitumor agents I. J. Pharm. Sci. 63(9), ]487-8 (]974).
0362 Brock, N. and J. Kuhlmann, Pharmacological studies with ,
alkylsulfonyloxyalkyl substituted and chloroethyl substituted
oxazaphosphorine-2-oxides. Arznelm-Forsch. 24(8), 1139-49
(1974).
0363 Brock, V.N. and J. Potel, Pharmacological studies with
alkylsulfonyloxyalkyl substituted and chloroethyl substituted
oxazaphosphorine-2-oxides. 2nd Communication: . Pharmacologic
characterization of 2-alkylsulfonyl oxyalkylamlno-oxazaphosphorine-
2-oxides including Immunological reactions. Arznelm.-Forsch.
24(8), 1149-60 (1974) .
0364 Cammarata, A. and T.M. Bustard, Reinvestigation of "nonaddltive"
quantitative structure-activity relationship. J. Med. Chem..
17(9), 981-5 (1974) .
i
t
0365 Cohen, J.D., W. Lee and E.J. Lien, Dependence of toxicity on
molecular structure: Group theory analysis J. Pharm. Scl.
63(7), 1068-72 (1974) .
/
0366 Craig, P.N., Structure-activity correlations of antimalarlal
compounds. 2. Phenanthreneaminoalkycarblnol antlmalarlals. J.
Med. Chem. 16(6), 661-7 (1973). '.
0367 Cramer, R.D., III, G. Redi, and C.E. Berkoff, Substructural analysis.
A novel approach to the problem of drug design. J. Med. Chem.
17(5), 533-5 (1974) . \ ,
0368 Darvaa, F., Application of the sequential simplex method in designing
drug analogs. J. Med. Chem. 17(8), 799-804 (1974).
66
-------
0369 Fllov, V.A., Thermodynamic properties of volatile organic
compounds with regard to their effect on mammals. Bioflzika
7(1), 73-79 (1962).
0370 Frank, R.E., W.F. Massy, and D.6. Morrieon, Biaa in multiple
discriminant analytic. J. Marketing Ree. II, 250-8 (1965).
•'.'.'."'• ' ' ' . • •. i
0371 Fujii, A. and B.8. Cook, Probiotic§. Antistaphylococcal and
antifibrinolytic activities of guanldlnoalkanesulfonic acids.
168th National Meeting American Chemical Society Sept. 8-13,
1974.
0372 Fujii, A., K, K.E. Shores, J.H. Bush, R.J. Garascia, and B.S.
Cook, Probiotica, an assessment of partition data for correlation
between structure and biological response. 168th National
Meeting American Chemical Society Sept. 8-13, 1974.
0373 Fujinami, A.,A. Mine and I. Fujita, Relationship between chemical
structure and selectivity in herbicide! activity of trans-beta
(2,4-dlchlorophBnoxy)-acrylatas against rice plant and barnyard
grass. Agr. Biol. Chen. 38(7), 1399-1403 (1974).
0374 Fujita, I., The analysis of physiological activity of substituted
phenols with substituent constants. J. Mad. Cham. 9(6),
797-803 (1966).
0375 Grafe, A., H. Liebig, and H. Pfetsing, Experimental results
with systematically ayntheltsed substances for antiviral chemotherapy
3rd communication: Indandione derivatives and ketoaulfonee.
Arcnelm-Forsch. 24(7), 1048-51 (1974).
0376 Hanach, C., K. Kiehe, and G.L. Lawrence, The role of subStltuents
in the hydrophoblc bonding of phenols by serum and mitochondrial
proteins. J. Am. Chem Soc. 87(24), 5770-3 (1965).
0377 Kutter, E. and C. Hansch, 8teric parameters in drug design.
Monoamine oxidase inhibitors and antihistamines. J. Med. Chem.
12: 647-52 (1969).
0378 Kutter, E. and C. Hansch, The use of substituent constants in the
quantitative treatment of hap tan-antibody interaction. Arch.
Bloc hem. Blophys. 135:126-35 (1969).
0379 Lien, E.J. and G.A. Gudauskas, Structure-eide-effect sorting of
drugs lit Skin Seneiticatlon. J. Pharm. Sci. 62(12), 1966-71
(1973). ,
0380 Lien, E.J., C. Hansch, and 8.M. Anderson, Structure-Activity
correlation for antibacterial agents on gram positive and gram-
negative cells. J. Med. Chem. 11(3), 430-41 (1968).
0381 Lien, E.J. and G.L. Tong, Structure-activity correlations of
anticancer agents: dlaminopyrimldines, NHacyltriamines, bls-
(1-etiridnyl)-phosphinyl carbamstea, and aromatic nitrogen mustards.
Cancer Chemother. Rep. 57(3), 251-61 (1973).
67
-------
0382 Martin, Y.C. and W.J. Dunn, Examination of the utility of the
Toplisi •chemei for analog synthesis. J. Mad. Chen. 16(5),
578*9 (1973) •, ' '
0383 Martin, Y.C., T.M. Bustard, and K.R. Lynn, Relationship between
physical properties and antioalarial activities of 1,4-
naphthoqulnones. J. Mad. Cham. 16(10), 1089-93 (1973).
0384 MarIn, Y.C., P.H. Jones, T.J. Perun, W.E. Grundy, S. Bell, R.R.
Bower, and N.L. Shlpkowitc, Chemical modification of erythromycin
antibiotics. 4. Structure^activlty relationships of erythroaycin
esters. J. Med. Chem. 15(6), 635-8 (1972). X
•'"'.'•• . • ,"• ' •' \ 1;
0385 Martin, Y.C..and K.R. Lynn, Quantitative structure-activity
relationships in leucomycin and 1Incomycin antibiotics. J.
Med. Chew. 14tl2)j 1162-6^(1971). ;
.:' • • " '.•''.'•'•'-' r'
0386 McFarland, J.W., On the parabolic relationship between drug
potency and hydrophoblcity. J. Med. Cham. 13(6), 1192-6 I
(1970). V |
0387 Tute, M.S., The Inhibition of viral neuraalnindase by 1-phenoxymethyl-
3,4-dihydroisoquinolines. II. A Hansch analysis. J. Mad. Chen. ,
13, 48-51 (1970). ; .'..;' ]
0368 Durham, J.P. and F.R. Butcher, The effect of catecholamlne analogues
upon amylase secretion from the mouse parotid gland in vlvot
Relationship to changes in cyclic AMP and cyclic GMP levels.
FEB8 Letters 47(2), 218-221 (1974). |
0389 Huang, C.T., W.C. Dauternan, and F.L. Bastings, Inhibition of flyhead
acetylcholinesteraae by dimethoxon analogs. Pest. Blochem. Phys.
4(3), 249-53 (1974).
0390 Lien, E.J., C-T. Kong, and R.J. Lukens, Antifungal activities of
mono- and D1-3CC13 substituted cootpounds: Structure-Activity
correlations. Pest. Biochea. Phys. 4(3), 289-98 289-98(1974). |
0391 Wustner, D.A. and T.R. Fukuto, Affinity and phosphonylation
conatanta for the inhibition of cholineaterases by the optical j
looaera of 0-2-butyl 8-2 (dlaethylaiBBoniua) ethyl ethylphosphonothloate
hydrogen oxalate. Pest. Blochem. Phys. 4(3), 365-76 (1974). i
0392 Fujita, I., K. Kamoshit*, T. Nlshloka and M. Nakajlma, Physicochemlcal
parameters for structure-activity-studies of substituted phenyl
N-methylcarbanates. Agr. Biol. Cham. 38(8), 1521-8 (1974). \ \
68
------- |