Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChem
Xiang-Qun Xie and Jian-Zhong Chen
J. Chem. Inf. Model., 2008, 48 (3), pp 465–475
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http://dx.doi.org/10.1021/ci700193uVincent Zoete1, Aurélien Grosdidier, Olivier Michielin
Journal of Cellular and Molecular Medicine, Volume 13, Issue 2, pages 238–248,
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http://dx.doi.org/10.1111/j.1582-4934.2008.00665.x