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. 2014 Aug 27;15(1):291. doi: 10.1186/1471-2105-15-291

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© Li et al.; licensee BioMed Central Ltd. 2014

This article is published under license to BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Correlation plots of predicted binding affinities against measured ones. Top row: Cyscore. Bottom row: RF::CyscoreVinaElem. Left column: PDBbind v2007 benchmark (N = 195), with RF::CyscoreVinaElem trained on 1105 complexes. Center column: PDBbind v2012 benchmark (N = 201), with RF::CyscoreVinaElem trained on 2696 complexes. Right column: PDBbind v2013 round-robin benchmark (N = 592), with RF::CyscoreVinaElem trained on 2367 complexes.