Decomposition of Pharmacological Activity Indices into Mutually Independent Components Using Principal Component Analysis

Istvàn Lukovits, Antal Lopata

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

Various subsets of pharmacological activity indices of benzodiazepines, of 8-quinolinol derivatives, and of 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 three out of the six cases with a fair correlation coefficient (r ≥ 0.9) between pairs of primary pharamcological 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. Factors, explaining a rather low portion of the total sample variance of the subset, may still account for important secondary effects.

Original languageEnglish
Pages (from-to)449-459
Number of pages11
JournalJournal of Medicinal Chemistry
Volume23
Issue number4
DOIs
Publication statusPublished - Jan 1 1980

ASJC Scopus subject areas

  • Molecular Medicine
  • Drug Discovery

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