| 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 | 5419 | 1990 |
| The amide linkage: Structural significance in chemistry, biochemistry, and materials science A Greenberg, CM Breneman, JF Liebman John Wiley & Sons, 2000 | 872 | 2000 |
| 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 | 626 | 2003 |
| 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 | 316 | 2010 |
| 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 | 277 | 1992 |
| 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 | 270 | 1992 |
| 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 | 222 | 2002 |
| 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 | 197 | 2000 |
| Computational strategies for polymer dielectrics design CC Wang, G Pilania, SA Boggs, S Kumar, C Breneman, R Ramprasad Polymer 55 (4), 979-988, 2014 | 153 | 2014 |
| 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 | 140 | 1985 |
| 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 | 132 | 1995 |
| 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 | 120 | 1997 |
| 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 | 116 | 2004 |
| 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 | 113 | 2001 |
| 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 | 105 | 2011 |
| 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 | 100 | 2011 |
| 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 | 95 | 2006 |
| 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 | 94 | 2013 |
| 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 | 91 | 2012 |
| 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 | 77 | 2010 |
Kristin P. BennettProfessor of Mathematical Sciences, Renssealer Polytechnic InstituteVerified email at rpi.edu
