Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods
Author:
Affiliation:
1. INRIA Nancy Grand Est, LORIA, 54506, Vandoeuvre-lès-Nancy, France
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/ci100263p
Reference55 articles.
1. Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation
2. Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
3. Shapes of Things: Computer Modeling of Molecular Shape in Drug Discovery
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