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Journal of Chemical Information and Computer Sciences|March 23, 2004
Predicting protein-ligand binding affinities using novel geometrical descriptors and machine-learning methodsWei Deng, Curt Breneman, Mark J EmbrechtsDrug Metabolism and Disposition: the Biological Fate of Chemicals|December 5, 2006
Classification of metabolites with kernel-partial least squares (K-PLS)Mark J Embrechts, Sean EkinsMethods in Molecular Biology (Clifton, N.J.)|July 24, 2012
Predictive cheminformatics in drug discovery: statistical modeling for analysis of micro-array and gene expression dataN Sukumar, Michael P Krein, Mark J EmbrechtsMethods in Molecular Biology (Clifton, N.J.)|May 14, 2004
Genetic algorithms for classification of olfactory stimulantsBarry K Lavine, Charles E Davidson, Curt Breneman, et al.Journal of Chemical Information and Modeling|March 28, 2006
Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI)Scott Oloff, Shuxing Zhang, Nagamani Sukumar, et al.ACS Medicinal Chemistry Letters|June 18, 2014
SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug MetabolismPatrik Rydberg, David E Gloriam, Jed Zaretzki, et al.Journal of Chemical Information and Computer Sciences|November 25, 2003
Electronic van der Waals surface property descriptors and genetic algorithms for developing structure-activity correlations in olfactory databasesBarry K Lavine, Charles E Davidson, Curt Breneman, et al.Computers in Biology and Medicine|June 14, 2008
Identification of ischemic heart disease via machine learning analysis on magnetocardiogramsTanawut Tantimongcolwat, Thanakorn Naenna, Chartchalerm Isarankura-Na-Ayudhya, et al.Journal of the American Society for Mass Spectrometry|August 2, 2003
A mass spectrometry study of tirapazamine and its metabolites. insights into the mechanism of metabolic transformations and the characterization of reaction intermediatesDmitri Zagorevskii, Minghu Song, Curt Breneman, et al.Journal of Computer-Aided Molecular Design|September 19, 2003
New developments in PEST shape/property hybrid descriptorsCurt M Breneman, C Matthew Sundling, N Sukumar, et al.Pageof 203