Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data
Author:
Affiliation:
1. Organic Pharmaceutical Chemistry, Department of Medicinal Chemistry, Uppsala University, Biomedical Centre, Box 574, SE- 751 23 Uppsala, Sweden
Funder
Carl Tryggers Stiftelse för Vetenskaplig Forskning
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/ci5005465
Reference62 articles.
1. Virtual Screening in Drug Design
2. Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions
3. Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods
4. Boosting Virtual Screening Enrichments with Data Fusion: Coalescing Hits from Two-Dimensional Fingerprints, Shape, and Docking
5. Combination of ligand- and structure-based methods in virtual screening
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