Atom/Fragment Contribution Method for Estimating Octanol–Water Partition Coefficients

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.6K citations

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Substituent Constants for Correlation Analysis in Chemistry and Biology.

Gordon L. Flynn · Journal of Pharmaceutical Sciences · 1980 · 2.8K citations

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Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics

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Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity

Arup K. Ghose, Gordon M. Crippen · Journal of Computational Chemistry · 1986 · 627 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Atomic physicochemical parameters for three dimensional structure directed quantitative structure‐activity relationships III: Modeling hydrophobic interactions

Arup K. Ghose, Avis Pritchett, Gordon M. Crippen · Journal of Computational Chemistry · 1988 · 450 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17