Curt Breneman

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Kristin P. BennettProfessor of Mathematical Sciences, Renssealer Polytechnic InstitutePotvrđena adresa e-pošte na rpi.edu
Mark EmbrechtsChief Science Officer, CardioMag Imaging, Inc. and Professor of Mechanical Aerospace and NuclearPotvrđena adresa e-pošte na rpi.edu
N. SukumarAmrita Vishwa VidyapeethamPotvrđena adresa e-pošte na cb.amrita.edu
Steven M. CramerInstitute Professor, Rensselaer Polytechnic InstitutePotvrđena adresa e-pošte na rpi.edu
Kenneth WibergProfessor of Chemistry. Yale UniversityPotvrđena adresa e-pošte na yale.edu
Michael KreinLockheed Martin Advanced Technology LaboratoriesPotvrđena adresa e-pošte na lmco.com
Charles BergeronAssistant ProfessorPotvrđena adresa e-pošte na rpi.edu
Patrik RydbergAssociate Director, Computational Chemmistry, Optibrium Ltd.Potvrđena adresa e-pošte na optibrium.com
Kaushal RegeFulton Faculty Impact Professor, Chemical Engineering; Chair, Biological Design Graduate ProgramPotvrđena adresa e-pošte na asu.edu
Robert Kewleysimlytics.cloudPotvrđena adresa e-pošte na simlytics.cloud
Sourav Das, PhDSenior Scientist, Cheminformatics, St. Jude Children's Research HospitalPotvrđena adresa e-pošte na stjude.org
Lars OlsenDepartment of Drug Design and Pharmacology, University of CopenhagenPotvrđena adresa e-pošte na novozymes.com
Christopher M HadadOhio State UniversityPotvrđena adresa e-pošte na osu.edu
Bruce H. LipshutzUC Santa BarbaraPotvrđena adresa e-pošte na chem.ucsb.edu
Muhsin ÖzdemirAdnan Menderes ÜniversitesiPotvrđena adresa e-pošte na adu.edu.tr
LC BrinsonDuke UniversityPotvrđena adresa e-pošte na duke.edu
Linda S. SchadlerUniversity of VermontPotvrđena adresa e-pošte na uvm.edu
Ghanshyam PilaniaSenior Engineer, GE Aerospace ResearchPotvrđena adresa e-pošte na ge.com
Chenchen WangUniversity of ConnecticutPotvrđena adresa e-pošte na uconn.edu
Ke (Kevin) WuRensselaer Polytechnic InstitutePotvrđena adresa e-pošte na google.com

Prati

Curt Breneman

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

Potvrđena adresa e-pošte na rpi.edu

Cheminformatics Materials Informatics QSPR MQSPR Computational Chemistry


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
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	5423	1990
The amide linkage: Structural significance in chemistry, biochemistry, and materials science A Greenberg, CM Breneman, JF Liebman John Wiley & Sons, 2000	918	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	632	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	323	2010
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	299	1992
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	283	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	220	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	141	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	125	1995
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	118	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	118	2001
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	115	1997
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	110	2011
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	101	2013
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	101	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	96	2006
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	95	2012
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	81	1991

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