Modeling of lipophilicity of industrial chemicals using topological as well as physico-chemical descriptors

Abstract

In the present work we have considered miscellaneous set of 76 industrial chemicals and modeled their logP using topological as well as physicochemical descriptors. The results indicate that the estimation of log P is very much effective when the topological and physicochemical descriptors are used together. The most appropriate model for the estimation (modeling) of log P indicated that by using the combination of topological and physicochemical descriptors. The results are discussed using variety of statistical approaches.