Abstract |
The objective of this investigation was to examine the QSAR between cellular response and molecular connectivity indexes for a series of 24 mono- and dinitrogen heterocyclic compounds that increase in ring attachment and methyl substitution and that have possible isomeric differences. The Chemical Abstract Service registry number, 1(sub chi)v molecular connectivity index, log BR observed, log BR predicted, and residual value for each test chemical were compared. Previous work demonstrating that toxicity increased with an increase in the number of atoms and degree of methylation per compound and that toxicity decreases with an increase in nitrogen substitution was corroborated. However, the present study gives an improved correlation coefficient of r = 0.962. (Copyright (c) 1982 Springer-Verlag New York Inc.) |