ADMET and DMPK, Vol. 6 No. 3, 2018.
Review article
https://doi.org/10.5599/admet.532
Block relevance (BR) analysis and polarity descriptors in property-based drug design
Giuseppe Ermondi
; Molecular Biotechnology and Health Sciences Dept., Università degli Studi di Torino, via Quarello 15, 10135 Torino, Italy
Giulia Caron
; Molecular Biotechnology and Health Sciences Dept., Università degli Studi di Torino, via Quarello 15, 10135 Torino, Italy
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
Hrčak ID:
205903
URI
Publication date:
22.9.2018.
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