Consequences of the Hansch Paradigm for the Pharmaceutical Industry

Applied Regression Analysis

2005 • 18,630 citations

Ridge Regression: Biased Estimation for Nonorthogonal Problems

1970 • 7,167 citations

The Structure of Scientific Revolutions

2017 • 5,532 citations

Partition coefficients and their uses

1971 • 4,444 citations

Applied Regression Analysis

1967 • 3,541 citations

Computer Aided Design of Experiments

1969 • 3,046 citations

Applied factor analysis

1970 • 2,496 citations

The Structure of Scientific Revolutions

1984 • 2,244 citations

Design of Specific Inhibitors of Angiotensin-Converting Enzyme: New Class of Orally Active Antihypertensive Agents

1977 • 1,851 citations

Multicollinearity in Regression Analysis: The Problem Revisited

1967 • 1,759 citations

A New Substituent Constant, π, Derived from Partition Coefficients

1964 • 1,353 citations

Aromatic substituent constants for structure-activity correlations

1973 • 1,189 citations

A Programming Language

1962 • 920 citations

Field and resonance components of substituent effects

1968 • 893 citations

Ridge regression:some simulations

1975 • 833 citations

BMDP-77, Biomedical Computer Programs, P-Series

1979 • 797 citations

Liquid chromatography of ionogenic substances with nonpolar stationary phases

1977 • 643 citations

Computer-Assisted Design of Complex Organic Syntheses

1969 • 623 citations

Regressions by Leaps and Bounds

1974 • 581 citations

SIMCA: A Method for Analyzing Chemical Data in Terms of Similarity and Analogy

1977 • 560 citations

CHEMISTRY AND INDUSTRY

1962 • 555 citations

The Correlation of Biological Activity of Plant Growth Regulators and Chloromycetin Derivatives with Hammett Constants and Partition Coefficients

1963 • 496 citations

Pattern recognition. Powerful approach to interpreting chemical data

1972 • 468 citations

Utilization of operational schemes for analog synthesis in drug design

1972 • 435 citations

Progress in Physical Organic Chemistry

1976 • 433 citations

Chance correlations in structure-activity studies using multiple regression analysis

1972 • 400 citations

Substituent constants for correlation analysis

1977 • 396 citations

Design of Active-Site-Directed Irreversible Enzyme Inhibitors.

1967 • 387 citations

Chemometrics: Theory and Application

1977 • 363 citations

Liquid Chromatography with Hydrocarbonaceous Bonded Phases; Theory and Practice of Reversed Phase Chromatography

1977 • 362 citations

A Simulation Study of Alternatives to Ordinary Least Squares

1977 • 292 citations

Calculation of hydrophobic constant (log P) from .pi. and f constants

1975 • 291 citations

Neurometrics

1977 • 290 citations

Quantitative drug design

1974 • 289 citations

Liquid-liquid partition coefficients by high-pressure liquid chromatography

1975 • 217 citations

Molecular Orbital Theory in Drug Research

1971 • 215 citations

Computer assisted studies of chemical structure and biological function

1980 • 211 citations

A manual method for applying the Hansch approach to drug design

1977 • 205 citations

Chromatographic hydrophobic parameters in correlation analysis of structure-activity relationships

1975 • 197 citations

Partition data of penicillins determined by means of reversed-phase thin-layer chromatography

1969 • 196 citations

Pattern recognition. II. Linear and nonlinear methods for displaying chemical data

1973 • 189 citations

Simple Procedure for Determining Octanol–Aqueous Partition, Distribution, and Ionization Coefficients by Reversed-Phase High-Pressure Liquid Chromatography

1978 • 177 citations

Strategy in drug design. Cluster anlysis as an aid in the selection of substituents

1973 • 148 citations

Computer assisted studies of chemical structure and biological function

1979 • 142 citations

The Augmentation of Experimental Data to Maximize [X′X]

1971 • 137 citations

Substructural analysis. Novel approach to the problem of drug design

1974 • 134 citations

Physicochemical-activity relations in practice. 1. Rational and self-consistent data bank

1975 • 133 citations

Molecular and Quantum Pharmacology

1974 • 128 citations

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

1976 • 120 citations

The hydrophobic fragmental constant, its derivation and application: A means of characterizing membrane systems

1977 • 118 citations

Ion-pair chromatography of acidic drug metabolites and endogenic compounds

1976 • 113 citations

Structure of medicinal chemistry

1976 • 108 citations

Some Observations Concerning Steric Factors

1950 • 106 citations

Reversed-phase ion-pair chromatography of antidepressive and neuroleptic amines and related quaternary ammonium compounds

1978 • 103 citations

Use of high-pressure liquid chromatography for quantitative structure-activity relationship studies of sulfonamides and barbiturates

1976 • 99 citations

Reversed-phase ion-pair partition chromatography of carboxylates and sulphonates

1975 • 95 citations

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

1964 • 92 citations

Myocardial and local anesthetic actions of β-adrenergic receptor blocking drugs: Relationship to physicochemical properties

1968 • 74 citations

Model building in structure-activity relations. Reexamination of adrenergic blocking activity of .beta.-halo-.beta.-arylalkylamines

1973 • 72 citations

A statistical-heuristic method for automated selection of drugs for screening

1977 • 69 citations

Application of pattern recognition to screening prospective anticancer drugs. Adenocarcinoma 755 biological activity test

1974 • 67 citations

A comparison of the determination of partition coefficients of 1,4-benzodiazepines by high-performance liquid chromatography and thin-layer chromatography

1976 • 66 citations

Discriminant analysis of the relation between physical properties and the inhibition of monoamine oxidase by aminotetralins and aminoindans

1974 • 64 citations

Preparation of a column with octanol-like properties for high-performance liquid chromatography

1978 • 60 citations

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

1978 • 58 citations

Molecular mechanics and the camseq processor

1977 • 56 citations

Reversed-phase ion-pair partition chromatography of phenylacetic, mandelic and pyridinecarboxylic acid derivatives

1976 • 55 citations

Pattern recognition. Classification of therapeutic agents according to pharmacophores

1976 • 54 citations

Applications of Artificial Intelligence: Relationships between Mass Spectra and Pharmacological Activity of Drugs

1973 • 53 citations

Computer-assisted structure-activity studies of chemical carcinogens. A heterogeneous data set

1979 • 51 citations

Physicochemical-activity relations in practice. 2. Rational selection of benzenoid substituents

1975 • 49 citations

Applications of artificial intelligence to chemistry. Use of pattern recognition and cluster analysis to determine the pharmacological activity of some organic compounds

1974 • 47 citations

Pattern recognition and structure-activity relation studies. Computer-assisted prediction of antitumor activity in structurally diverse drugs in an experimental mouse brain tumor system

1975 • 46 citations

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

1978 • 45 citations

Xanthone-2-carboxylic acids, a new series of antiallergic substances

1972 • 43 citations

Octanol-aqueous partition, distribution and ionization coefficients of lipophilic acids and their anions by reversed-phase high-performance liquid chromatography

1979 • 42 citations

Quantitative structure-activity relationship of chymotrypsin-ligand interactions

1977 • 41 citations

Study of structure-activity relation of a series of diphenylaminopropanols by factor analysis

1973 • 41 citations

A guide to molecular pharmacology-toxicology

1974 • 40 citations

Classification of psychotropic drugs as sedatives or tranquilizers using pattern recognition techniques

1975 • 40 citations

Application of the sequential simplex method in designing drug analogs

1974 • 38 citations

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

1979 • 38 citations

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

1977 • 36 citations

Correlation analysis of Baker's studies on enzyme inhibition. 1. Guanine deaminase, xanthine oxidase, dihydrofolate reductase, and complement

1976 • 35 citations

Quantitative structure-activity relation of antimalarial and dihydrofolate reductase inhibition by quinazolines and 5-substituted benzyl-2,4-diaminopyrimidines

1977 • 34 citations

Multivariate analysis and quantitative structure-activity relationships. Inhibition of dihydrofolate reductase and thymidylate synthetase by quinazolines

1979 • 33 citations

Stationary phase effects in reversed-phase liquid chromatography of acids and ion pairs

1978 • 32 citations

Cybernetic methods of drug design. I. Statement of the problem—The perceptron approach

1973 • 32 citations

Structure–Activity Studies of Barbiturates Using Pattern Recognition Techniques

1978 • 32 citations

Synthesis and antiinflammatory activity of 6,11-dihydro-11-oxodibenzo[b,e]thiepinalkanoic acids and related compounds

1978 • 31 citations

Pattern Recognition II: Investigation of Structure-Activity Relationships

1977 • 31 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

A guide to molecular pharmacology-toxicology,

1973 • 29 citations

“Repairing” Response Surface Designs

1972 • 25 citations

Testing of Computer-Assisted Methods for Classification of Pharmacological Activity

1974 • 24 citations

Classification of drugs by discriminant analysis using fragment molecular connectivity values

1979 • 24 citations

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

1979 • 23 citations

Correlations between Structure and Nuclear Magnetic Resonance Spectra for Aliphatic Esters¹

1966 • 20 citations

Structure-activity correlations for a series of antiallergy agents. Oxanilic, quinaldic, and benzopyran-2-carboxylic acids

1978 • 19 citations

THE INTERACTION OF SOME BIS‐ARYLHYDROXYSULPHONIC ACIDS WITH A SITE OF KNOWN STRUCTURE IN HUMAN HAEMOGLOBIN

1977 • 14 citations

生理活性物質の現実的課題 I 生理活性物質における構造と活性との定量的相関関係の探求:理論的基礎,実施,仮説と現状

1973 • 12 citations

Synthesis, Physicochemical Properties, and Antitumor Activities of Analogs of l-Phenyl-3-benzyl-3-methyltriazenes

1977 • 12 citations

1-Alkylamino-3-(2-thiazolyloxy)-2-propanols. Novel class of mixed myocardial .beta.-stimulants/.beta.-blockers

1974 • 11 citations

Antibacterial activity of N-(.beta.-styryl)formamides related to tuberin

1978 • 10 citations

Tricyclic aryl-substituted anticoccidial azauracils

1978 • 10 citations

Analgesic activity of novel spiro heterocycles. 2-Amino-7-oxa-3-thia-1-azaspiro[5.5]undec-1-enes and related compounds

1978 • 9 citations

A Computer System for Structure-Activity Studies Using Chemical Structure Information Handling and Pattern Recognition Techniques

1977 • 9 citations