engleski

Molecular topological index: An application in the QSAR study of toxicity of alcohols

An application of the molecular topological index, adapted for heterosystems, in the QSAR study of toxicity of alkyl alcohols on fathead minnows (Pimephates promelas) is examined. The obtained QSAR model is comparable to models based on the Wiener number and the connectivity index.

Molecular Topological Index ; QSAR ; Toxicity of Alkyl Alcohols

Conference: 4TH INTERNATIONAL CONF ON MATHEMATICAL AND COMPUTATIONAL CHEMISTRY : CONCEPTS IN MATHEMATICAL CHEMISTRY Location: BLED, YUGOSLAVIA Date: JUN 03-07, 1991