“Bayes Affinity Fingerprints” Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space: When Are Multitarget Drugs a Feasible Concept?
Author:
Affiliation:
1. Lead Discovery Informatics, Lead Discovery Center, Novartis Institutes for BioMedical Research Inc., 250 Massachusetts Ave., Cambridge, Massachusetts 02139
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci600197y
Reference37 articles.
1. Chemical Similarity Searching
2. Molecular similarity: a key technique in molecular informatics
3. Handbook of Molecular Descriptors
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