Curt Breneman

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Kristin P. BennettProfessor of Mathematical Sciences, Renssealer Polytechnic InstituteDirección de correo verificada de rpi.edu
Mark EmbrechtsChief Science Officer, CardioMag Imaging, Inc. and Professor of Mechanical Aerospace and NuclearDirección de correo verificada de rpi.edu
N. SukumarAmrita Vishwa VidyapeethamDirección de correo verificada de cb.amrita.edu
Steven M. CramerInstitute Professor, Rensselaer Polytechnic InstituteDirección de correo verificada de rpi.edu
Kenneth WibergProfessor of Chemistry. Yale UniversityDirección de correo verificada de yale.edu
Michael KreinLockheed Martin Advanced Technology LaboratoriesDirección de correo verificada de lmco.com
Charles BergeronAssistant ProfessorDirección de correo verificada de rpi.edu
Jinbo BiUniversity of ConnecticutDirección de correo verificada de uconn.edu
Patrik RydbergAssociate Director, Computational Chemmistry, Optibrium Ltd.Dirección de correo verificada de optibrium.com
Kaushal RegeFulton Faculty Impact Professor, Chemical Engineering; Chair, Biological Design Graduate ProgramDirección de correo verificada de asu.edu
Robert Kewleysimlytics.cloudDirección de correo verificada de simlytics.cloud
Sourav Das, PhDSenior Scientist, Cheminformatics, St. Jude Children's Research HospitalDirección de correo verificada de stjude.org
Lars OlsenDepartment of Drug Design and Pharmacology, University of CopenhagenDirección de correo verificada de novozymes.com
Bruce H. LipshutzUC Santa BarbaraDirección de correo verificada de chem.ucsb.edu
Christopher M HadadOhio State UniversityDirección de correo verificada de osu.edu
Muhsin ÖzdemirAdnan Menderes ÜniversitesiDirección de correo verificada de adu.edu.tr
Ghanshyam PilaniaSenior Engineer, GE Aerospace ResearchDirección de correo verificada de ge.com
Chenchen WangUniversity of ConnecticutDirección de correo verificada de uconn.edu
LC BrinsonDuke UniversityDirección de correo verificada de duke.edu
Linda S. SchadlerUniversity of VermontDirección de correo verificada de uvm.edu

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Curt Breneman

Dean of Science, Professor of Chemistry & Chemical Biology, Rensselaer Polytechnic Institute

Dirección de correo verificada de rpi.edu

Cheminformatics Materials Informatics QSPR MQSPR Computational Chemistry


Título Ordenar por citas Ordenar por año Ordenar por 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	5419	1990
The amide linkage: Structural significance in chemistry, biochemistry, and materials science A Greenberg, CM Breneman, JF Liebman John Wiley & Sons, 2000	876	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	278	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

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