Electron Density Modeling of Large Systems Using the Transferable Atom Equivalent Method. - Curt M. Breneman; Tracy R. Thompson; Marlon Rhem; Mei Dung (Comput. Chem., 1995)

QSPR analysis of HPLC column capacity factors for a set of high-energy materials using electronic van der waals surface property descriptors computed by transferable atom equivalent method. - Curt M. Breneman; Marlon Rhem (J. Comput. Chem., 1997)

Data strip mining for the virtual design of pharmaceuticals with neural networks. - Robert H. Kewley; Mark J. Embrechts; Curt M. Breneman (IEEE Trans. Neural Networks Learn. Syst., 2000)

Prediction of Protein Retention Times in Anion-Exchange Chromatography Systems Using Support Vector Regression. - Minghu Song; Curt M. Breneman; Jinbo Bi; Nagamani Sukumar; Kristin P. Bennett; Steven M. Cramer; Nihal Tugcu (J. Chem. Inf. Comput. Sci., 2002)

New developments in PEST shape/property hybrid descriptors. - Curt M. Breneman; C. Matthew Sundling; Nagamani Sukumar; Lingling Shen; William P. Katt; Mark J. Embrechts (J. Comput. Aided Mol. Des., 2003)

Transferable atom equivalent multicentered multipole expansion method. - Christopher E. Whitehead; Curt M. Breneman; Nagamani Sukumar; M. Dominic Ryan (J. Comput. Chem., 2003)

Electronic van der Waals Surface Property Descriptors and Genetic Algorithms for Developing Structure-Activity Correlations in Olfactory Databases. - Barry K. Lavine; Charles E. Davidson; Curt M. Breneman; William P. Katt (J. Chem. Inf. Comput. Sci., 2003)

Dimensionality Reduction via Sparse Support Vector Machines. - Jinbo Bi; Kristin P. Bennett; Mark J. Embrechts; Curt M. Breneman; Minghu Song (J. Mach. Learn. Res., 2003)

Predicting Protein-Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods. - Wei Deng; Curt M. Breneman; Mark J. Embrechts (J. Chem. Inf. Model., 2004)

Investigation of DNA-Binding Properties of an Aminoglycoside-Polyamine Library Using Quantitative Structure-Activity Relationship (QSAR) Models. - Kaushal Rege; Asif Ladiwala; Shanghui Hu; Curt M. Breneman; Jonathan S. Dordick; Steven M. Cramer (J. Chem. Inf. Model., 2005)

Chemometric Analysis of Ligand Receptor Complementarity: Identifying Complementary Ligands Based on Receptor Information (CoLiBRI). - Scott Oloff; Shuxing Zhang; Nagamani Sukumar; Curt M. Breneman; Alexander Tropsha (J. Chem. Inf. Model., 2006)

Data Fusion and Auto-fusion for Quantitative Structure-Activity Relationship (QSAR). - Changjian Huang; Mark J. Embrechts; Nagamani Sukumar; Curt M. Breneman (ICANN (1), 2007)

Multiple instance ranking. - Charles Bergeron; Jed Zaretzki; Curt M. Breneman; Kristin P. Bennett (ICML, 2008)

Rapid Comparison of Protein Binding Site Surfaces with Property Encoded Shape Distributions. - Sourav Das; Arshad Kokardekar; Curt M. Breneman (J. Chem. Inf. Model., 2009)

PESDserv: a server for high-throughput comparison of protein binding site surfaces. - Sourav Das; Michael P. Krein; Curt M. Breneman (Bioinform., 2010)

Binding Affinity Prediction with Property-Encoded Shape Distribution Signatures. - Sourav Das; Michael P. Krein; Curt M. Breneman (J. Chem. Inf. Model., 2010)

Prediction of peptide bonding affinity: kernel methods for nonlinear modeling - Charles Bergeron; Theresa Hepburn; C. Matthew Sundling; Michael P. Krein; William P. Katt; Nagamani Sukumar; Curt M. Breneman; Kristin P. Bennett (CoRR, 2011)

Exploiting Domain Knowledge for Improved Quantitative High-Throughput Screening Curve Fitting. - Charles Bergeron; Gregory M. Moore; Michael P. Krein; Curt M. Breneman; Kristin P. Bennett (J. Chem. Inf. Model., 2011)

Rank Order Entropy: Why One Metric Is Not Enough. - Margaret R. McLellan; M. Dominic Ryan; Curt M. Breneman (J. Chem. Inf. Model., 2011)

RS-Predictor: A New Tool for Predicting Sites of Cytochrome P450-Mediated Metabolism Applied to CYP 3A4. - Jed Zaretzki; Charles Bergeron; Patrik Rydberg; Tao-wei Huang; Kristin P. Bennett; Curt M. Breneman (J. Chem. Inf. Model., 2011)

RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes. - Jed Zaretzki; Patrik Rydberg; Charles Bergeron; Kristin P. Bennett; Lars Olsen; Curt M. Breneman (J. Chem. Inf. Model., 2012)

Fast Bundle Algorithm for Multiple-Instance Learning. - Charles Bergeron; Gregory M. Moore; Jed Zaretzki; Curt M. Breneman; Kristin P. Bennett (IEEE Trans. Pattern Anal. Mach. Intell., 2012)

RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules. - Jed Zaretzki; Charles Bergeron; Tao-wei Huang; Patrik Rydberg; S. Joshua Swamidass; Curt M. Breneman (Bioinform., 2013)

DR-Predictor: Incorporating Flexible Docking with Specialized Electronic Reactivity and Machine Learning Techniques to Predict CYP-Mediated Sites of Metabolism. - Tao-wei Huang; Jed Zaretzki; Charles Bergeron; Kristin P. Bennett; Curt M. Breneman (J. Chem. Inf. Model., 2013)

New Group IV Chemical Motifs for Improved Dielectric Permittivity of Polyethylene. - G. Pilania; C. C. Wang; K. Wu; Nagamani Sukumar; Curt M. Breneman; G. Sotzing; Rampi Ramprasad (J. Chem. Inf. Model., 2013)

Cadre Modeling: Simultaneously Discovering Subpopulations and Predictive Models. - Alexander New; Curt M. Breneman; Kristin P. Bennett (IJCNN, 2018)