The influence of the negative-positive ratio and screening database size on the performance of machine learning-based virtual screening
Author:
Funder
National Science Centre
National Centre for Research and Development
Publisher
Public Library of Science (PLoS)
Subject
Multidisciplinary
Reference32 articles.
1. Machine Learning in Virtual Screening;James L. Melville;Comb Chem High Throughput Screen,2009
2. Evaluation of virtual screening performance of support vector machines trained by sparsely distributed active compounds;XH Ma;J Chem Inf Model,2008
3. Contemporary QSAR classifiers compared;CL Bruce;J Chem Inf Model,2007
4. A multidimensional analysis of machine learning methods performance in the classification of bioactive compounds;S Smusz;Chemom Intell Lab Syst,2013
5. Assessing different classification methods for virtual screening;D Plewczynski;J Chem Inf Model,2006
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