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Curt Breneman
Curt Breneman
Dean of Science, Professor of Chemistry & Chemical Biology, Rensselaer Polytechnic Institute
Verified email at rpi.edu
Title
Cited by
Cited by
Year
Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
CM Breneman, KB Wiberg
Journal of Computational Chemistry 11 (3), 361-373, 1990
53641990
The amide linkage: Structural significance in chemistry, biochemistry, and materials science
A Greenberg, CM Breneman, JF Liebman
John Wiley & Sons, 2000
8642000
Dimensionality reduction via sparse support vector machines
J Bi, K Bennett, M Embrechts, C Breneman, M Song
Journal of Machine Learning Research 3 (Mar), 1229-1243, 2003
6242003
SMARTCyp: a 2D method for prediction of cytochrome P450-mediated drug metabolism
P Rydberg, DE Gloriam, J Zaretzki, C Breneman, L Olsen
ACS medicinal chemistry letters 1 (3), 96-100, 2010
3122010
Analysis of the effect of electron correlation on charge density distributions
KB Wiberg, CM Hadad, TJ LePage, CM Breneman, MJ Frisch
The Journal of Physical Chemistry 96 (2), 671-679, 1992
2771992
Resonance interactions in acyclic systems. 3. Formamide internal rotation revisited. Charge and energy redistribution along the CN bond rotational pathway
KB Wiberg, CM Breneman
Journal of the American Chemical Society 114 (3), 831-840, 1992
2701992
Prediction of protein retention times in anion-exchange chromatography systems using support vector regression
M Song, CM Breneman, J Bi, N Sukumar, KP Bennett, S Cramer, N Tugcu
Journal of chemical information and computer sciences 42 (6), 1347-1357, 2002
2172002
Data strip mining for the virtual design of pharmaceuticals with neural networks
RH Kewley, MJ Embrechts, C Breneman
IEEE Transactions on Neural Networks 11 (3), 668-679, 2000
1932000
Computational strategies for polymer dielectrics design
CC Wang, G Pilania, SA Boggs, S Kumar, C Breneman, R Ramprasad
Polymer 55 (4), 979-988, 2014
1492014
Chemical and spectroscopic studies on copper iodide derived organocuprates: new insight into the composition of Gilman's reagent
BH Lipshutz, JA Kozlowski, CM Breneman
Journal of the American Chemical Society 107 (11), 3197-3204, 1985
1391985
Electron density modeling of large systems using the transferable atom equivalent method
CM Breneman, TR Thompson, M Rhem, M Dung
Computers & Chemistry 19 (3), 161-179, 1995
1311995
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 …
CM Breneman, M Rhem
Journal of computational chemistry 18 (2), 182-197, 1997
1201997
Predicting protein− ligand binding affinities using novel geometrical descriptors and machine-learning methods
W Deng, C Breneman, MJ Embrechts
Journal of chemical information and computer sciences 44 (2), 699-703, 2004
1142004
Prediction of protein retention in ion-exchange systems using molecular descriptors obtained from crystal structure
CB Mazza, N Sukumar, CM Breneman, SM Cramer
Analytical chemistry 73 (22), 5457-5461, 2001
1102001
RS-predictor: a new tool for predicting sites of cytochrome P450-mediated metabolism applied to CYP 3A4
J Zaretzki, C Bergeron, P Rydberg, T Huang, KP Bennett, CM Breneman
Journal of chemical information and modeling 51 (7), 1667-1689, 2011
1042011
Fast bundle algorithm for multiple-instance learning
C Bergeron, G Moore, J Zaretzki, CM Breneman, KP Bennett
IEEE Transactions on Pattern Analysis and Machine Intelligence 34 (6), 1068-1079, 2011
992011
Stalking the materials genome: a data‐driven approach to the virtual design of nanostructured polymers
CM Breneman, LC Brinson, LS Schadler, B Natarajan, M Krein, K Wu, ...
Advanced functional materials 23 (46), 5746-5752, 2013
942013
Investigation of protein retention and selectivity in HIC systems using quantitative structure retention relationship models
A Ladiwala, F Xia, Q Luo, CM Breneman, SM Cramer
Biotechnology and bioengineering 93 (5), 836-850, 2006
942006
RS-Predictor models augmented with SMARTCyp reactivities: robust metabolic regioselectivity predictions for nine CYP isozymes
J Zaretzki, P Rydberg, C Bergeron, KP Bennett, L Olsen, CM Breneman
Journal of chemical information and modeling 52 (6), 1637-1659, 2012
912012
Binding affinity prediction with property-encoded shape distribution signatures
S Das, MP Krein, CM Breneman
Journal of chemical information and modeling 50 (2), 298-308, 2010
772010
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