Interpretation of Quantitative Structure-property and -activity Relationships

Overview

Journal J Chem Inf Comput Sci

Publisher American Chemical Society

Specialties Chemistry
Medical Informatics

Date 2001 Jun 21

PMID 11410046

Citations 12

Authors

A R Katritzky

R Petrukhin

D Tatham

S Basak

E Benfenati

M Karelson

U Maran

Affiliations

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Abstract

The potential utility of data reduction methods (e.g. principal component analysis) for the analysis of matrices assembled from the related properties of large sets of compounds is discussed by reference to results obtained from solvent polarity scales, ongoing work on solubilities and sweetness properties, and proposed general treatments of toxicities and gas chromatographic retention indices.

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