The Block Relevance (BR) analysis to aid medicinal chemists to determine and interpret lipophilicity

Abstract

A major issue related to chromatographic determination of lipophilicity is the conversion to log P. The interconversion of lipophilicity indices can be made only if two systems express the same balance of intermolecular solute/system forces. The deconvolution of intermolecular interactions is generally obtained by solvation parameter models. Block Relevance (BR) analysis is a new tool specifically designed for medicinal chemists to interpret partitioning/retention phenomena in a very practical way. This paper describes the application of BR analysis to literature data (Elog P) and experimentally determined chromatographic indices on a Supelcosil™ LC-ABZ column for a series of 36 drugs. Results indicate that BR analysis is a solid and reliable tool that captures the main information encoded in any lipophilicity descriptor.