| Quantum-chemical descriptors in QSAR/QSPR studies M Karelson, VS Lobanov, AR Katritzky Chemical reviews 96 (3), 1027-1044, 1996 | 2081 | 1996 |
| High-density miniaturized thermal shift assays as a general strategy for drug discovery MW Pantoliano, EC Petrella, JD Kwasnoski, VS Lobanov, J Myslik, E Graf, ... Journal of biomolecular screening 6 (6), 429-440, 2001 | 1142 | 2001 |
| QSPR: the correlation and quantitative prediction of chemical and physical properties from structure AR Katritzky, VS Lobanov, M Karelson Chemical Society Reviews 24 (4), 279-287, 1995 | 649 | 1995 |
| Prediction of critical micelle concentration using a quantitative structure–property relationship approach PDT Huibers, VS Lobanov, AR Katritzky, DO Shah, M Karelson Journal of Colloid and Interface Science 187 (1), 113-120, 1997 | 345* | 1997 |
| Structurally diverse quantitative structure− property relationship correlations of technologically relevant physical properties AR Katritzky, U Maran, VS Lobanov, M Karelson Journal of chemical information and computer sciences 40 (1), 1-18, 2000 | 342 | 2000 |
| Correlation of boiling points with molecular structure. 1. A training set of 298 diverse organics and a test set of 9 simple inorganics AR Katritzky, L Mu, VS Lobanov, M Karelson The Journal of Physical Chemistry 100 (24), 10400-10407, 1996 | 321 | 1996 |
| Prediction of critical micelle concentration using a quantitative structure− property relationship approach. 1. Nonionic surfactants PDT Huibers, VS Lobanov, AR Katritzky, DO Shah, M Karelson Langmuir 12 (6), 1462-1470, 1996 | 241 | 1996 |
| Prediction of gas chromatographic retention times and response factors using a general qualitative structure-property relationships treatment AR Katritzky, ES Ignatchenko, RA Barcock, VS Lobanov, M Karelson Analytical Chemistry 66 (11), 1799-1807, 1994 | 235 | 1994 |
| CODESSA: reference manual AR Katritzky, VS Lobanov, M Karelson University of Florida, Gainesville, FL, 1994 | 207 | 1994 |
| On the use of neural network ensembles in QSAR and QSPR DK Agrafiotis, W Cedeno, VS Lobanov Journal of chemical information and computer sciences 42 (4), 903-911, 2002 | 204 | 2002 |
| CODESSA Comprehensive Descriptors for Structural and Statistical Analysis AR Katritzky, VS Lobanov, M Karelson Reference manual, 1994 | 180* | 1994 |
| Quantitative structure− property relationship (QSPR) correlation of glass transition temperatures of high molecular weight polymers AR Katritzky, S Sild, V Lobanov, M Karelson Journal of chemical information and computer sciences 38 (2), 300-304, 1998 | 169 | 1998 |
| QSPR as a means of predicting and understanding chemical and physical properties in terms of structure AR Katritzky, M Karelson, VS Lobanov Pure and Applied Chemistry 69 (2), 245-248, 1997 | 167 | 1997 |
| Combinatorial informatics in the post-genomics era DK Agrafiotis, VS Lobanov, FR Salemme Nature Reviews Drug Discovery 1 (5), 337, 2002 | 156 | 2002 |
| Sparse learning and stability selection for predicting MCI to AD conversion using baseline ADNI data J Ye, M Farnum, E Yang, R Verbeeck, V Lobanov, N Raghavan, G Novak, ... BMC neurology 12 (1), 46, 2012 | 152 | 2012 |
| Method, system and computer program product for non-linear mapping of multi-dimensional data DK Agrafiotis, VS Lobanov, FR Salemme US Patent 6,571,227, 2003 | 149 | 2003 |
| Normal boiling points for organic compounds: correlation and prediction by a quantitative structure− property relationship AR Katritzky, VS Lobanov, M Karelson Journal of chemical information and computer sciences 38 (1), 28-41, 1998 | 135 | 1998 |
| CODESSA: training manual AR Katritzky, VS Lobanov, M Karelson University of Florida, Gainesville, FL, 1995 | 132 | 1995 |
| Prediction of polymer glass transition temperatures using a general quantitative structure− property relationship treatment AR Katritzky, P Rachwal, KW Law, M Karelson, VS Lobanov Journal of chemical information and computer sciences 36 (4), 879-884, 1996 | 126 | 1996 |
| An improved model for disease progression in patients from the Alzheimer's disease neuroimaging initiative MN Samtani, M Farnum, V Lobanov, E Yang, N Raghavan, A DiBernardo, ... The Journal of Clinical Pharmacology 52 (5), 629-644, 2012 | 105 | 2012 |
