Curt M. Breneman

Publication Activity (10 Years)

Years Active: 1995-2018
Publications (10 Years): 2

Top Topics

Predictive Model

Past Observations

Top Venues

J. Chem. Inf. Model.

IEEE Trans. Pattern Anal. Mach. Intell.

Publications

Alexander New, Curt M. Breneman, Kristin P. Bennett
Cadre Modeling: Simultaneously Discovering Subpopulations and Predictive Models. CoRR (2018)
Alexander New, Curt M. Breneman, Kristin P. Bennett
Cadre Modeling: Simultaneously Discovering Subpopulations and Predictive Models. IJCNN (2018)
Jed Zaretzki, Charles Bergeron, Tao-wei Huang, Patrik Rydberg, S. Joshua Swamidass, Curt M. Breneman
RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules. Bioinform. 29 (4) (2013)
Tao-wei Huang, Jed Zaretzki, Charles Bergeron, Kristin P. Bennett, Curt M. Breneman
DR-Predictor: Incorporating Flexible Docking with Specialized Electronic Reactivity and Machine Learning Techniques to Predict CYP-Mediated Sites of Metabolism. J. Chem. Inf. Model. 53 (12) (2013)
G. Pilania, C. C. Wang, K. Wu, Nagamani Sukumar, Curt M. Breneman, G. Sotzing, Rampi Ramprasad
New Group IV Chemical Motifs for Improved Dielectric Permittivity of Polyethylene. J. Chem. Inf. Model. 53 (4) (2013)
Charles Bergeron, Gregory M. Moore, Jed Zaretzki, Curt M. Breneman, Kristin P. Bennett
Fast Bundle Algorithm for Multiple-Instance Learning. IEEE Trans. Pattern Anal. Mach. Intell. 34 (6) (2012)
Jed Zaretzki, Patrik Rydberg, Charles Bergeron, Kristin P. Bennett, Lars Olsen, Curt M. Breneman
RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes. J. Chem. Inf. Model. 52 (6) (2012)
Jed Zaretzki, Charles Bergeron, Patrik Rydberg, Tao-wei Huang, Kristin P. Bennett, Curt M. Breneman
RS-Predictor: A New Tool for Predicting Sites of Cytochrome P450-Mediated Metabolism Applied to CYP 3A4. J. Chem. Inf. Model. 51 (7) (2011)
Charles Bergeron, Gregory M. Moore, Michael P. Krein, Curt M. Breneman, Kristin P. Bennett
Exploiting Domain Knowledge for Improved Quantitative High-Throughput Screening Curve Fitting. J. Chem. Inf. Model. 51 (11) (2011)
Charles Bergeron, Theresa Hepburn, C. Matthew Sundling, Michael P. Krein, William P. Katt, Nagamani Sukumar, Curt M. Breneman, Kristin P. Bennett
Prediction of peptide bonding affinity: kernel methods for nonlinear modeling CoRR (2011)
Margaret R. McLellan, M. Dominic Ryan, Curt M. Breneman
Rank Order Entropy: Why One Metric Is Not Enough. J. Chem. Inf. Model. 51 (9) (2011)
Sourav Das, Michael P. Krein, Curt M. Breneman
Binding Affinity Prediction with Property-Encoded Shape Distribution Signatures. J. Chem. Inf. Model. 50 (2) (2010)
Sourav Das, Michael P. Krein, Curt M. Breneman
PESDserv: a server for high-throughput comparison of protein binding site surfaces. Bioinform. 26 (15) (2010)
Sourav Das, Arshad Kokardekar, Curt M. Breneman
Rapid Comparison of Protein Binding Site Surfaces with Property Encoded Shape Distributions. J. Chem. Inf. Model. 49 (12) (2009)
Charles Bergeron, Jed Zaretzki, Curt M. Breneman, Kristin P. Bennett
Multiple instance ranking. ICML (2008)
Changjian Huang, Mark J. Embrechts, Nagamani Sukumar, Curt M. Breneman
Data Fusion and Auto-fusion for Quantitative Structure-Activity Relationship (QSAR). ICANN (1) (2007)
Scott Oloff, Shuxing Zhang, Nagamani Sukumar, Curt M. Breneman, Alexander Tropsha
Chemometric Analysis of Ligand Receptor Complementarity: Identifying Complementary Ligands Based on Receptor Information (CoLiBRI). J. Chem. Inf. Model. 46 (2) (2006)
Kaushal Rege, Asif Ladiwala, Shanghui Hu, Curt M. Breneman, Jonathan S. Dordick, Steven M. Cramer
Investigation of DNA-Binding Properties of an Aminoglycoside-Polyamine Library Using Quantitative Structure-Activity Relationship (QSAR) Models. J. Chem. Inf. Model. 45 (6) (2005)
Wei Deng, Curt M. Breneman, Mark J. Embrechts
Predicting Protein-Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods. J. Chem. Inf. Model. 44 (2) (2004)
Christopher E. Whitehead, Curt M. Breneman, Nagamani Sukumar, M. Dominic Ryan
Transferable atom equivalent multicentered multipole expansion method. J. Comput. Chem. 24 (4) (2003)
Barry K. Lavine, Charles E. Davidson, Curt M. Breneman, William P. Katt
Electronic van der Waals Surface Property Descriptors and Genetic Algorithms for Developing Structure-Activity Correlations in Olfactory Databases. J. Chem. Inf. Comput. Sci. 43 (6) (2003)
Jinbo Bi, Kristin P. Bennett, Mark J. Embrechts, Curt M. Breneman, Minghu Song
Dimensionality Reduction via Sparse Support Vector Machines. J. Mach. Learn. Res. 3 (2003)
Curt M. Breneman, C. Matthew Sundling, Nagamani Sukumar, Lingling Shen, William P. Katt, Mark J. Embrechts
New developments in PEST shape/property hybrid descriptors. J. Comput. Aided Mol. Des. 17 (2-4) (2003)
Minghu Song, Curt M. Breneman, Jinbo Bi, Nagamani Sukumar, Kristin P. Bennett, Steven M. Cramer, Nihal Tugcu
Prediction of Protein Retention Times in Anion-Exchange Chromatography Systems Using Support Vector Regression. J. Chem. Inf. Comput. Sci. 42 (6) (2002)
Robert H. Kewley, Mark J. Embrechts, Curt M. Breneman
Data strip mining for the virtual design of pharmaceuticals with neural networks. IEEE Trans. Neural Networks Learn. Syst. 11 (3) (2000)
Curt M. Breneman, Marlon Rhem
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. 18 (2) (1997)
Curt M. Breneman, Tracy R. Thompson, Marlon Rhem, Mei Dung
Electron Density Modeling of Large Systems Using the Transferable Atom Equivalent Method. Comput. Chem. 19 (3) (1995)