| Beware of q2! A Golbraikh, A Tropsha Journal of molecular graphics and modelling 20 (4), 269-276, 2002 | 4267 | 2002 |
| Rational selection of training and test sets for the development of validated QSAR models A Golbraikh, M Shen, Z Xiao, YD Xiao, KH Lee, A Tropsha Journal of computer-aided molecular design 17, 241-253, 2003 | 802 | 2003 |
| Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection A Golbraikh, A Tropsha Molecular diversity 5, 231-243, 2000 | 778 | 2000 |
| Predictive QSAR modeling workflow, model applicability domains, and virtual screening A Tropsha, A Golbraikh Current pharmaceutical design 13 (34), 3494-3504, 2007 | 505 | 2007 |
| Does rational selection of training and test sets improve the outcome of QSAR modeling? TM Martin, P Harten, DM Young, EN Muratov, A Golbraikh, H Zhu, ... Journal of chemical information and modeling 52 (10), 2570-2578, 2012 | 309 | 2012 |
| A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models S Zhang, A Golbraikh, S Oloff, H Kohn, A Tropsha Journal of chemical information and modeling 46 (5), 1984-1995, 2006 | 266 | 2006 |
| QSAR modeling of the blood–brain barrier permeability for diverse organic compounds L Zhang, H Zhu, TI Oprea, A Golbraikh, A Tropsha Pharmaceutical research 25, 1902-1914, 2008 | 222 | 2008 |
| Development and Validation of k-Nearest-Neighbor QSPR Models of Metabolic Stability of Drug Candidates M Shen, Y Xiao, A Golbraikh, VK Gombar, A Tropsha Journal of medicinal chemistry 46 (14), 3013-3020, 2003 | 217 | 2003 |
| Novel chirality descriptors derived from molecular topology A Golbraikh, D Bonchev, A Tropsha Journal of Chemical Information and Computer Sciences 41 (1), 147-158, 2001 | 184 | 2001 |
| Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds M Shen, C Béguin, A Golbraikh, JP Stables, H Kohn, A Tropsha Journal of medicinal chemistry 47 (9), 2356-2364, 2004 | 182 | 2004 |
| Quantitative Structure−Activity Relationship Analysis of Functionalized Amino Acid Anticonvulsant Agents Using k Nearest Neighbor and Simulated Annealing PLS … M Shen, A LeTiran, Y Xiao, A Golbraikh, H Kohn, A Tropsha Journal of medicinal chemistry 45 (13), 2811-2823, 2002 | 182 | 2002 |
| Probing of the receptor-binding sites of the H1 and H3 influenza A and influenza B virus hemagglutinins by synthetic and natural sialosides MN Matrosovich, AS Gambaryan, AB Tuzikov, NE Byramova, ... Virology 196 (1), 111-121, 1993 | 174 | 1993 |
| Combinatorial QSAR modeling of P-glycoprotein substrates P de Cerqueira Lima, A Golbraikh, S Oloff, Y Xiao, A Tropsha Journal of chemical information and modeling 46 (3), 1245-1254, 2006 | 162 | 2006 |
| QSAR modeling using chirality descriptors derived from molecular topology A Golbraikh, A Tropsha Journal of chemical information and computer sciences 43 (1), 144-154, 2003 | 152 | 2003 |
| Data set modelability by QSAR A Golbraikh, E Muratov, D Fourches, A Tropsha Journal of chemical information and modeling 54 (1), 1-4, 2014 | 150 | 2014 |
| Integrative chemical–biological read-across approach for chemical hazard classification Y Low, A Sedykh, D Fourches, A Golbraikh, M Whelan, I Rusyn, ... Chemical research in toxicology 26 (8), 1199-1208, 2013 | 139 | 2013 |
| Combinatorial QSAR of ambergris fragrance compounds A Kovatcheva, A Golbraikh, S Oloff, YD Xiao, W Zheng, P Wolschann, ... Journal of chemical information and computer sciences 44 (2), 582-595, 2004 | 137 | 2004 |
| Development of Quantitative Structure− Binding Affinity Relationship Models Based on Novel Geometrical Chemical Descriptors of the Protein− Ligand Interfaces S Zhang, A Golbraikh, A Tropsha Journal of medicinal chemistry 49 (9), 2713-2724, 2006 | 121 | 2006 |
| Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening L Zhang, D Fourches, A Sedykh, H Zhu, A Golbraikh, S Ekins, J Clark, ... Journal of chemical information and modeling 53 (2), 475-492, 2013 | 107 | 2013 |
| Quantitative structure-property relationship modeling of remote liposome loading of drugs A Cern, A Golbraikh, A Sedykh, A Tropsha, Y Barenholz, A Goldblum Journal of controlled release 160 (2), 147-157, 2012 | 105 | 2012 |
Alexander TropshaProfessor at UNC-Chapel Hill在 unc.edu 的电子邮件经过验证
