INTERNATIONAL JOURNAL OF PHARMACY & LIFE SCIENCES Modeling of lipophilicity of industrial chemicals using topological as well as physico-chemical descriptors
Vinay K. Dubey, Kamna Singh, Vijay K. Agrawal · 2012
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 b y using the combination of topological and physicoc hemical descriptors. The results are discussed using variet y of statistical approaches.