Quantitative structure-activity analyses of nitrobenzene toxicity to Paramecium caudatum

摘要

In this study IGC_(50) (50% inhibitory growth concentration) values of 26 nitrobenzenes were determined for population growth endpoint of Paramecium caudatum. Quantitative structure activity relationships (QSARs) were developed using log of the inverse of the IGC_(50) (logIG(C_(50))~(-1)) in mole liter as the dependent variable and 6 molecular descriptors (logP, ~1(X~Ⅴ), I, ~1Ka, Σ(σ~-) and E_(LUMO)) as the independent variables. Through multiplicate regression analysis, one best QSAR equation was obtained. The equation was used to estimate IGC_(50) for 7 analogues.