Curt Breneman
Curt Breneman
Dean of Science, Professor of Chemistry & Chemical Biology, Rensselaer Polytechnic Institute
Geverifieerd e-mailadres voor rpi.edu
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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
45081990
The amide linkage: Structural significance in chemistry, biochemistry, and materials science
A Greenberg, CM Breneman, JF Liebman
John Wiley & Sons, 2002
5752002
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
5682003
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
2721992
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
2531992
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
2282010
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
1892002
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
1662000
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
1291985
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
1131995
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
1071997
Computational strategies for polymer dielectrics design
CC Wang, G Pilania, SA Boggs, S Kumar, C Breneman, R Ramprasad
Polymer 55 (4), 979-988, 2014
1002014
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
932011
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
932001
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
882004
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
812006
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
782012
The response of electrons to structural changes
KB Wiberg, CM Hadad, CM Breneman, KE Laidig, MA Murcko, TJ LePage
Science 252 (5010), 1266-1272, 1991
781991
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
742011
Substituent effects. 1. Methyl derivatives
KB Wiberg, CM Breneman
Journal of the American Chemical Society 112 (24), 8765-8775, 1990
701990
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Artikelen 1–20