Curt M. Breneman

27 papers A* 1B 1Journal 24Unranked 1
YearRankTypeTitle / Venue / Authors
2018 B conf
Cadre Modeling: Simultaneously Discovering Subpopulations and Predictive Models.
IJCNN
Alexander New, Curt M. Breneman, Kristin P. Bennett
2018 J jnl
Cadre Modeling: Simultaneously Discovering Subpopulations and Predictive Models.
CoRR
Alexander New, Curt M. Breneman, Kristin P. Bennett
2013 J jnl
DR-Predictor: Incorporating Flexible Docking with Specialized Electronic Reactivity and Machine Learning Techniques to Predict CYP-Mediated Sites of Metabolism.
J. Chem. Inf. Model.
Tao-wei Huang, Jed Zaretzki, Charles Bergeron, Kristin P. Bennett, Curt M. Breneman
2013 J jnl
New Group IV Chemical Motifs for Improved Dielectric Permittivity of Polyethylene.
J. Chem. Inf. Model.
G. Pilania, C. C. Wang, K. Wu, Nagamani Sukumar, Curt M. Breneman, Gregory Sotzing, Rampi Ramprasad
2013 J jnl
RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules.
Bioinform.
Jed Zaretzki, Charles Bergeron, Tao-wei Huang, Patrik Rydberg, S. Joshua Swamidass, Curt M. Breneman
2012 J jnl
Fast Bundle Algorithm for Multiple-Instance Learning.
IEEE Trans. Pattern Anal. Mach. Intell.
Charles Bergeron, Gregory M. Moore, Jed Zaretzki, Curt M. Breneman, Kristin P. Bennett
2012 J jnl
RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes.
J. Chem. Inf. Model.
Jed Zaretzki, Patrik Rydberg, Charles Bergeron, Kristin P. Bennett, Lars Olsen, Curt M. Breneman
2011 J jnl
Exploiting Domain Knowledge for Improved Quantitative High-Throughput Screening Curve Fitting.
J. Chem. Inf. Model.
Charles Bergeron, Gregory M. Moore, Michael P. Krein, Curt M. Breneman, Kristin P. Bennett
2011 J jnl
Prediction of peptide bonding affinity: kernel methods for nonlinear modeling
CoRR
Charles Bergeron, Theresa Hepburn, C. Matthew Sundling, Michael P. Krein, William P. Katt, Nagamani Sukumar, Curt M. Breneman, Kristin P. Bennett
2011 J jnl
RS-Predictor: A New Tool for Predicting Sites of Cytochrome P450-Mediated Metabolism Applied to CYP 3A4.
J. Chem. Inf. Model.
Jed Zaretzki, Charles Bergeron, Patrik Rydberg, Tao-wei Huang, Kristin P. Bennett, Curt M. Breneman
2011 J jnl
Rank Order Entropy: Why One Metric Is Not Enough.
J. Chem. Inf. Model.
Margaret R. McLellan, M. Dominic Ryan, Curt M. Breneman
2010 J jnl
Binding Affinity Prediction with Property-Encoded Shape Distribution Signatures.
J. Chem. Inf. Model.
Sourav Das, Michael P. Krein, Curt M. Breneman
2010 J jnl
PESDserv: a server for high-throughput comparison of protein binding site surfaces.
Bioinform.
Sourav Das, Michael P. Krein, Curt M. Breneman
2009 J jnl
Rapid Comparison of Protein Binding Site Surfaces with Property Encoded Shape Distributions.
J. Chem. Inf. Model.
Sourav Das, Arshad Kokardekar, Curt M. Breneman
2008 A* conf
Multiple instance ranking.
ICML
Charles Bergeron, Jed Zaretzki, Curt M. Breneman, Kristin P. Bennett
2007 — conf
Data Fusion and Auto-fusion for Quantitative Structure-Activity Relationship (QSAR).
ICANN (1)
Changjian Huang, Mark J. Embrechts, Nagamani Sukumar, Curt M. Breneman
2006 J jnl
Chemometric Analysis of Ligand Receptor Complementarity: Identifying Complementary Ligands Based on Receptor Information (CoLiBRI).
J. Chem. Inf. Model.
Scott Oloff, Shuxing Zhang, Nagamani Sukumar, Curt M. Breneman, Alexander Tropsha
2005 J jnl
Investigation of DNA-Binding Properties of an Aminoglycoside-Polyamine Library Using Quantitative Structure-Activity Relationship (QSAR) Models.
J. Chem. Inf. Model.
Kaushal Rege, Asif Ladiwala, Shanghui Hu, Curt M. Breneman, Jonathan S. Dordick, Steven M. Cramer
2004 J jnl
Predicting Protein-Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods.
J. Chem. Inf. Model.
Wei Deng, Curt M. Breneman, Mark J. Embrechts
2003 J jnl
Dimensionality Reduction via Sparse Support Vector Machines.
J. Mach. Learn. Res.
Jinbo Bi, Kristin P. Bennett, Mark J. Embrechts, Curt M. Breneman, Minghu Song
2003 J jnl
Electronic van der Waals Surface Property Descriptors and Genetic Algorithms for Developing Structure-Activity Correlations in Olfactory Databases.
J. Chem. Inf. Comput. Sci.
Barry K. Lavine, Charles E. Davidson, Curt M. Breneman, William P. Katt
2003 J jnl
New developments in PEST shape/property hybrid descriptors.
J. Comput. Aided Mol. Des.
Curt M. Breneman, C. Matthew Sundling, Nagamani Sukumar, Lingling Shen, William P. Katt, Mark J. Embrechts
2003 J jnl
Transferable atom equivalent multicentered multipole expansion method.
J. Comput. Chem.
Christopher E. Whitehead, Curt M. Breneman, Nagamani Sukumar, M. Dominic Ryan
2002 J jnl
Prediction of Protein Retention Times in Anion-Exchange Chromatography Systems Using Support Vector Regression.
J. Chem. Inf. Comput. Sci.
Minghu Song, Curt M. Breneman, Jinbo Bi, Nagamani Sukumar, Kristin P. Bennett, Steven M. Cramer, Nihal Tugcu
2000 J jnl
Data strip mining for the virtual design of pharmaceuticals with neural networks.
IEEE Trans. Neural Networks Learn. Syst.
Robert H. Kewley, Mark J. Embrechts, Curt M. Breneman
1997 J jnl
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.
J. Comput. Chem.
Curt M. Breneman, Marlon Rhem
1995 J jnl
Electron Density Modeling of Large Systems Using the Transferable Atom Equivalent Method.
Comput. Chem.
Curt M. Breneman, Tracy R. Thompson, Marlon Rhem, Mei Dung