Molecular topology and narcosis. A quantitative structure-activity relationship (QSAR) study of alcohols using complementary information content (CIC)

Subhash C Basak, V. R. Magnuson

Research output: Contribution to journalArticlepeer-review

74 Scopus citations

Abstract

A newly formulated information-theoretic topological index - complementary information content (CIC) - defined for the planar chemical graph of molecules is applied in the QSAR studies of congeneric series of alcohols. Results show that CIC can quantitatively predict the LC50 values of the congeners at a level comparable with that of log P.

Original languageEnglish (US)
Pages (from-to)501-503
Number of pages3
JournalArzneimittel-Forschung/Drug Research
Volume33
Issue number4
StatePublished - Jan 1 1983

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