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

Giuseppe Ermondi; Giulia Caron

doi:10.5599/admet.532

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

Authors

Giuseppe Ermondi University of Torino (I)
Giulia Caron University of Torino (I)

DOI:

https://doi.org/10.5599/admet.532

Keywords:

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

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.

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Published

22-09-2018

How to Cite

Ermondi, G., & Caron, G. (2018). Block relevance (BR) analysis and polarity descriptors in property-based drug design. ADMET and DMPK, 6(3), 215–224. https://doi.org/10.5599/admet.532