Seguir
Curt Breneman
Curt Breneman
Dean of Science, Professor of Chemistry & Chemical Biology, Rensselaer Polytechnic Institute
Dirección de correo verificada de rpi.edu
Título
Citado por
Citado por
Año
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
52751990
The amide linkage: Structural significance in chemistry, biochemistry, and materials science
A Greenberg, CM Breneman, JF Liebman
John Wiley & Sons, 2000
8402000
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
6212003
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
3112010
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
2941992
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
2761992
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
1892000
Computational strategies for polymer dielectrics design
CC Wang, G Pilania, SA Boggs, S Kumar, C Breneman, R Ramprasad
Polymer 55 (4), 979-988, 2014
1452014
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
1371985
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
1291995
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
1161997
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
1122004
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
1092001
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
952011
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
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
892013
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
821991
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–20