Block relevance (BR) analysis and polarity descriptors in property-based drug design

Abstract

Block Relevance (BR) analysis is a tool to interpret QSPR/PLS models which can provide the information content of any physicochemical determinant used in property-based drug discovery; its application for the characterization of experimental polarity descriptors is discussed.

Keywords

• ADME, hydrogen bonding, IAM, QSPR
• PLS
• PSA, VIP