QSAR analysis of soil sorption coefficients for polar organic chemicals: substituted anilnes & phenols

Abstract

Based on various topological molecular descriptors, viz. Weiner index, various Randic indices, different molecular connectivity indices, Balaban and different balaban type parameters, several QSAR models were built to estimate the soil sorption coefficients (log K_oc) of substituted anilines and phenols. The regression analysis of the data employing the multiple linear analysis. Results showed that a tetra-parametric model was excellent for modeling of these compounds.