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Journal of Biomolecular Screening|April 6, 2005
Development of CYP3A4 inhibition models: comparisons of machine-learning techniques and molecular descriptorsRieko Arimoto, Madhu-Ashni Prasad, Eric M GiffordJournal of Chemical Information and Modeling|December 14, 2016
Extreme Gradient Boosting as a Method for Quantitative Structure-Activity RelationshipsRobert P Sheridan, Wei Min Wang, Andy Liaw, et al.Bioinformatics (Oxford, England)|September 10, 2011
Comparing bioassay response and similarity ensemble approaches to probing protein pharmacologyBin Chen, Kevin J McConnell, Nikil Wale, et al.Drug Discovery Today|January 7, 2012
Systems chemical biology and the Semantic Web: what they mean for the future of drug discovery researchDavid J Wild, Ying Ding, Amit P Sheth, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|August 10, 2010
Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity propertiesRishi R Gupta, Eric M Gifford, Ted Liston, et al.Journal of Pharmaceutical Sciences|January 1, 2009
The development and validation of a computational model to predict rat liver microsomal clearanceCheng Chang, David B Duignan, Kjell D Johnson, et al.Pageof 1