ADMET and DMPK  

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

Giuseppe Ermondi, Giulia Caron

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

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DOI: http://dx.doi.org/10.5599/admet.532

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ISSN 1848-7718