The physicochemical approach to drug design and discovery (QSAR)

Some Factors in the Interpretation of Protein Denaturation

1959 • 4,817 citations

Partition coefficients and their uses

1971 • 4,444 citations

Substituent constants for correlation analysis in chemistry and biology

1979 • 2,909 citations

Substituent Constants for Correlation Analysis in Chemistry and Biology.

1980 • 2,780 citations

p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure

1964 • 2,191 citations

Dynamics of folded proteins

1977 • 1,929 citations

Molecular Connectivity in Chemistry and Drug Research

1976 • 1,666 citations

A New Substituent Constant, π, Derived from Partition Coefficients

1964 • 1,353 citations

Structure and Mechanism in Organic Chemistry

1970 • 1,041 citations

Rates and equilibria of organic reactions

1963 • 946 citations

A Mathematical Contribution to Structure-Activity Studies

1964 • 913 citations

Fitting Equations to Data.

1973 • 893 citations

Chance factors in studies of quantitative structure-activity relationships

1979 • 668 citations

Partition coefficient to measure bioconcentration potential of organic chemicals in fish

1974 • 646 citations

The Catalytic and Regulatory Properties of Enzymes

1968 • 603 citations

Advances in Linear Free Energy Relationships

1972 • 553 citations

The use of chemical potentials as indices of toxicity

1939 • 550 citations

Correlation Analysis in Chemistry

1978 • 524 citations

The Internal Dynamics of Globular Protein

1981 • 505 citations

Isosterism and molecular modification in drug design

1979 • 450 citations

Utilization of operational schemes for analog synthesis in drug design

1972 • 435 citations

Lipophilic Character and Biological Activity of Drugs II: The Parabolic Case

1973 • 355 citations

Fitting Equations to Data

1972 • 350 citations

Development and Application of New Steric Substituent Parameters in Drug Design

1976 • 322 citations

Hydrophobic Fragmental Constant

2016 • 312 citations

Quantitative Drug Design

2010 • 294 citations

Quantitative drug design

1974 • 289 citations

The Hammett Equation

1973 • 277 citations

The Permeability of Nitella Cells to Non‐Eleetrolytes

1954 • 274 citations

Where do general anaesthetics act?

1978 • 255 citations

Studies in Chemotherapy. VII. A Theory of the Relation of Structure to Activity of Sulfanilamide Type Compounds¹

1942 • 249 citations

Parabolic dependence of drug action upon lipophilic character as revealed by a study of hypnotics

1968 • 230 citations

Interdependence between physical parameters and selection of substituent groups for correlation studies

1971 • 223 citations

Molecular Orbital Theory in Drug Research

1971 • 215 citations

Quantitative structure-activity relations. 7. The bilinear model, a new model for nonlinear dependence of biological activity on hydrophobic character

1977 • 194 citations

Structure-activity relation. 3. Structure-activity study of phenethylamines as substrates of biosynthetic enzymes of sympathetic transmitters

1971 • 187 citations

7 The Molecular Basis for Enzyme Regulation

1970 • 177 citations

Structure-activity relationships in the effects of 1-alkylimidazoles on microsomal oxidation in vitro and in vivo

1974 • 169 citations

Biological Activity and Chemical Structure

1963 • 167 citations

The linear free-energy relation between partition coefficients and the binding, and conformational perturbation of macromolecules by small organic compounds

1968 • 157 citations

Correlation analysis in organic chemistry : an introduction to linear free-energy relationships

1973 • 138 citations

COMPOUNDS DESIGNED TO FIT A SITE OF KNOWN STRUCTURE IN HUMAN HAEMOGLOBIN

1976 • 120 citations

Comparison of parameters currently used in the study of structure-activity relationships

1969 • 119 citations

Hydrogen-bonding parameter and its significance in quantitative structure-activity studies

1977 • 119 citations

Correlation of serum binding of penicillins with partition coefficients

1967 • 118 citations

BC(DEF) parameters. 1. The intrinsic dimensionality of intermolecular interactions in the liquid state

1980 • 117 citations

Quantitative Relationships Between Lipophilic Character and Drug Metabolism

1972 • 106 citations

Correction. BC(DEF) Parameters. 1. The Intrinsic Dimensionality of Intermolecular Interactions in the Liquid State

1981 • 101 citations

Strategy of drug design : a guide to biological activity

1973 • 97 citations

The Use of Substituent Constants in the Analysis of the Structure-Activity Relationship in Penicillin Derivatives

1964 • 92 citations

Partition coefficients and the structure-activity relation of the anesthetic gases

1975 • 78 citations

Thermodynamic Analysis of Structure-Activity Relationships of Drugs: Prediction of Optimal Structure

1970 • 78 citations

Hydrolysis by acetylcholinesterase. Apparent molal volumes and trimethyl and methyl subsites.

1980 • 78 citations

BC(DEF) parameters. 2. An empirical structure-based scheme for the prediction of some physical properties

1980 • 76 citations

A correlation of thyroxine-like activity and chemical structure

1956 • 74 citations

Correlation analysis. Its application to the structure-activity relation of triazines inhibiting dihydrofolate reductase

1975 • 71 citations

Thyroxine analogs. 23. Quantitative structure-activity correlation studies of in vivo and in vitro thyromimetic activities

1977 • 66 citations

Relationship between Lipophilic Character and Anesthetic Activity

1972 • 65 citations

Potential central nervous system antitumor agents. Hydantoin derivatives

1975 • 63 citations

The Role of Hydrophobic Bonding in the Binding of Organic Compounds by Bovine Hemoglobin^*

1966 • 63 citations

Substituent effects. 6. Charged groups: a simple extension of the Hammett equation

1978 • 59 citations

Structure-activity relationships in membrane-perturbing agents. Hemolytic, narcotic, and antibacterial compounds.

1971 • 59 citations

Structure-activity study of .beta.-adrenergic agents using the SIMCA method of pattern recognition

1978 • 58 citations

Mutagenicity of substituted (o-phenylenediamine)platinum dichloride in the Ames test. A quantitative structure-activity analysis

1980 • 54 citations

Antiallergic activity of 2-phenyl-8-azapurin-6-ones

1975 • 52 citations

Quantitative structure-activity relationships of antineoplastic drugs: nitrosoureas and triazenoimidazoles.

1972 • 49 citations

Generation of carbon monoxide during the microsomal metabolism of methylenedioxyphenyl compounds

1980 • 48 citations

Quantitative structure-activity relationships. 2. A mixed approach, based on Hansch and Free-Wilson analysis

1976 • 46 citations

A structure-carcinogenicity study of 4-nitroquinoline 1-oxides using the SIMCA method of pattern recognition

1978 • 45 citations

Antitumor structure-activity relationships. Nitrosoureas vs. L-1210 leukemia

1980 • 45 citations

Binding of apolar molecules by serum albumin

1972 • 45 citations

Predictability of correlations between in vitro tetracycline potencies and substituent indices

1970 • 43 citations

Structure-activity relation in benzamides inhibiting alcohol dehydrogenase

1973 • 40 citations

Clonidine and related analogues. Quantitative correlations

1976 • 39 citations

Quantitative structure-activity relationships. 1. The modified Free-Wilson approach

1976 • 39 citations

Quantitative structure-activity relationships in 1-aryl-2-(alkylamino)ethanol antimalarials

1979 • 38 citations

Relation between physical properties and antimalarial activities of 1,4-naphthoquinones

1973 • 38 citations

Quantitative structure-selectivity relationships. Comparison of the inhibition of Escherichia coli and bovine liver dihydrofolate reductase by 5-(substituted benzyl)-2,4-diaminopyrimidines

1980 • 37 citations

Quantitative structure-pharmacokinetic relationships derived on antibacterial sulfonamides in rats and its comparison to quantitative structure-activity relationships

1980 • 37 citations

The correlation of localization rates of benzeneboronic acids in brain and tumor tissue with substituent constants.

1965 • 36 citations

Design, synthesis, and correlation analysis of 7-substituted 4-hydroxyquinoline-3-carboxylic acids as inhibitors of cellular respiration

1977 • 36 citations

Physical organic chemistry

2015 • 34 citations

Structure-activity correlations of antimalarial compounds. 1. Free-Wilson analysis of 2-phenylquinoline-4-carbinols

1972 • 33 citations

Structure-activity relationships in papain and bromelain ligand interactions

1977 • 32 citations

Consequences of the Hansch Paradigm for the Pharmaceutical Industry

1980 • 31 citations

Structure-activity relationships of 1,2,3-benzothiadiazole insecticide synergists as inhibitors of microsomal oxidation

1977 • 31 citations

Antitumor 1-(X-aryl)-3,3-dialkyltriazenes. 2. On the role of correlation analysis in decision making in drug modification. Toxicity quantitative structure-activity relationships of 1-(X-phenyl)-3,3-dialkyltriazenes in mice

1978 • 31 citations

Steric effects-II

1980 • 30 citations

Inhibition of monoamine oxidase by N-(phenoxyethyl)cyclopropylamines. Correlation of inhibition with Hammett constants and partition coefficients

1968 • 30 citations

Correlation analysis of Baker's studies on enzyme inhibition. 2. Chymotrypsin, trypsin, thymidine phosphorylase, uridine phosphorylase, thymidilate synthetase, cytosine nucleoside deaminase, dihydrofolate reductase, malate, glutamate, lactate, and glyceraldehyde-phosphate dehydrogenase

1976 • 29 citations

ChemInform Abstract: QUANTITATIVE STRUCTURE‐ACTIVITY RELATIONS. 7. THE BILINEAR MODEL, A NEW MODEL L FOR NONLINEAR DEPENDENCE OF BIOLOGICAL ACTIVITY ON HYDROPHOBIC CHARACTER

1977 • 29 citations

A Macrocyclic Enzyme Model System. Deacylation ofp-Nitrophenyl Carboxylates as Effected by a [20]Paracyclophane Bearing an Imidazole Group

1977 • 28 citations

ChemInform Abstract: QUANTITATIVE MODELS OF STERIC EFFECTS

1977 • 27 citations

Mobile-defect hypothesis of protein function

1975 • 26 citations

Regression analysis of the relation between physical properties and the in vitro inhibition of monoamine oxidase by propynylamines

1975 • 26 citations

Physicochemical-activity relationships in asymmetrical analogues of methoxychlor

1976 • 24 citations

Quantitative structure-activity relationships of chymotrypsin-ligand interactions: An analysis of interactions in ϱ3 space

1979 • 23 citations

Application of quantitative structure-activity relationships in the development of the antiallergic pyranenamines

1979 • 23 citations

Quantitative structure-activity relationship of phenyl N-methylcarbamate inhibition of acetylcholinesterase

1981 • 21 citations

ChemInform Abstract: STRUCTURE‐ACTIVITY STUDY OF β‐ADRENERGIC AGENTS USING THE SIMCA METHOD OF PATTERN RECOGNITION

1979 • 18 citations

Structure-activity correlations among rifamycin B amides and hydrazides

1975 • 17 citations

Fibrinolytic congeners of benzoic and salicylic acid

1970 • 17 citations

Further Evaluation of a Quantitative Mathematical Model for Predicting Acute Toxicity of Acrylate and Methacrylate Esters

1974 • 15 citations

Structure-activity relationships in immunochemistry. 4. Inhibition of complement by benzylpyridinium ions. On the predictive value of correlation equations

1976 • 15 citations

The importance of hydrophobic properties of organic compounds on their taste intensities: a quantitative structure-taste-intensity study

1980 • 14 citations

Steric effects in quantitative structure-activity relationships

1978 • 13 citations

Mécanisme de la Narcose

1952 • 13 citations

Inhibition of dihydrofolate reductase. 3. 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(2-substituted-phenyl)-s-triazine inhibition of bovine liver and mouse tumor enzymes

1980 • 13 citations

Kolloidchemische Eigenschaften, Verteilungs‐und Bindungsverhalten von Phenothiazinderivaten, 2. Mitt.: Einfluß von chemischer Struktur und Milieubedingungen auf die Mizellgewichte

1976 • 12 citations

Hydrophobic effect in host-guest interactions. Hydrolysis of nitrophenyl carboxylates

1978 • 12 citations

ChemInform Abstract: ANTITUMOR STRUCTURE‐ACTIVITY RELATIONSHIPS. NITROSOUREAS VS. L‐1210 LEUKEMIA

1981 • 12 citations

Comparison of the Hansch and Free-Wilson Approaches to Structure-Activity Correlation

1974 • 12 citations

Quantitative structure-activity models. Conditions for application and statistical interpretation

1970 • 12 citations

Use of .sigma.+ in structure-activity correlations

1970 • 12 citations

The use of triazine inhibitors in mapping the active site region of Lactobacillus casei dihydrofolate reductase

1979 • 12 citations

An example of successful prediction of cholinesterase inhibitory potency from regression analysis

1969 • 12 citations

Quantitative structure-activity relations among selected pyrimidinones and Hill reaction inhibition

1976 • 11 citations

Thyroxine Analogs. XV.¹ Synthesis and Antigoitrogenic Activity of the 3'-t-Butyl Analog of 3,5,3'-Triiodo-L-thyronine and Its O-Methyl Ether

1965 • 10 citations

THE SELECTION OF ARYLAMIDINOUREA ANTIMALARIALS BY THEIR PREDICTED PHYSICOCHEMICAL PROPERTIES

1974 • 10 citations

Comparative analysis of the cytotoxicity of substituted [phenylglyoxal bis(4-methyl-3-thiosemicarbazone)]copper(II) chelates. 2. Parabolic correlations and their implications for selective toxicity

1978 • 10 citations

Relationship between Chemical Structure and Selectivity in Herbicidal Activity of trans-β-(2, 4-Dichlorophenoxy)-acrylates against Rice Plant and Barnyard-grass

1974 • 9 citations

Effect of pKb on Lipophilic Binding of Disopyramide Derivatives to Human Plasma

1975 • 9 citations

Quantitative structure activity relationship studies of potential anti malarial sulfonamide partitioning into erythrocytes

1980 • 7 citations

Structure-activity relation in synthetic fibrinolytics. 2-Phenethynylcyclopropanecarboxylates

1975 • 7 citations

Carbaryl Synergism by Substituted 1,3-Benzodioxoles and Related Compounds and Inhibition of Mixed Function Oxidase1

1973 • 7 citations

Binding of sulfonylurea-related compounds with bovine serum albumin.

1978 • 7 citations

QSAR in a series of muscarinic agents.

1979 • 2 citations