QSTR with Extended Topochemical Atom Indices. 7. QSAR of Substituted Benzenes to Saccharomyces cerevisiae

摘要

In continuation of our recent efforts to explore quantitative structure - toxicity relationships (QSTRs) of compounds of diverse chemical classes using extended topochemical atom (ETA) indices, the present paper deals with the modeling of the nonspecific toxicity of 51 substituted benzenes to the yeast Saccharomyces cerevisiae. The results of the study suggest that ETA parameters are sufficiently rich in chemical information to encode the structural features contributing significantly to the nonspecific toxicity of the substituted benzenes to Saccharomyces cerevisiae.