Decomposition of pharmacological activity indices into mutually independent components using principal component analysis
- 1 April 1980
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Medicinal Chemistry
- Vol. 23 (4) , 449-459
- https://doi.org/10.1021/jm00178a018
Abstract
Various subsets of pharmacological activity indices of benzodiazepines, 8-quinolinol derivatives and rifamycin B amides were decomposed into mutually independent components by using principal component analysis. The activities not included into the subset were considered as the dependent variables. In 3 out of the 6 cases with a fair correlation coefficient (r .gtoreq. 0.9) between pairs of primary pharmacological indices, the main component obtained by the decomposition procedure showed significantly higher correlation with the dependent variable than any of the original pharmacological activity indices. Certain factors, explaining a rather low portion of the total sample variance of the subset, may still account for important secondary effects.This publication has 1 reference indexed in Scilit:
- Pattern recognition. Classification of therapeutic agents according to pharmacophoresJournal of Medicinal Chemistry, 1976