Virtual Screening Using Binary Kernel Discrimination: Effect of Noisy Training Data and the Optimization of Performance
Author:
Affiliation:
1. Departments of Chemistry, Automatic Control and Systems Engineering, and Information Studies, University of Sheffield, Sheffield S10 2TN, U.K.
2. GlaxoSmithKline Research and Development, Gunnels Wood Road, Stevenage SG1 2NY, U.K.
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/ci0505426
Reference25 articles.
1. Substructural analysis. Novel approach to the problem of drug design
2. Comparison of Fragment Weighting Schemes for Substructural Analysis
3. Virtual Screening of Molecular Databases Using a Support Vector Machine
4. Harper, G. The Selection of Compounds for Screening in Pharmaceutical Research.Ph.D. Thesis, University of Oxford, 1999.
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