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MOLECULAR TOPOLOGY AND NARCOSIS - A QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR) STUDY OF ALCOHOLS USING COMPLEMENTARY INFORMATION CONTENT (CIC)

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Citation:

Basak, S. AND V. Magnuson. MOLECULAR TOPOLOGY AND NARCOSIS - A QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR) STUDY OF ALCOHOLS USING COMPLEMENTARY INFORMATION CONTENT (CIC). U.S. Environmental Protection Agency, Washington, D.C., EPA/600/J-83/072.

Description:

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.

Record Details:

Record Type:DOCUMENT( REPORT )
Product Published Date:05/24/2002
Record Last Revised:04/16/2004
Record ID: 31484