| On some aspects of variable selection for partial least squares regression models PP Roy, K Roy QSAR & Combinatorial Science 27 (3), 302-313, 2008 | 922 | 2008 |
| On a simple approach for determining applicability domain of QSAR models K Roy, S Kar, P Ambure Chemometrics and Intelligent Laboratory Systems 145, 22-29, 2015 | 723 | 2015 |
| Be aware of error measures. Further studies on validation of predictive QSAR models K Roy, RN Das, P Ambure, RB Aher Chemometrics and Intelligent Laboratory Systems 152, 18-33, 2016 | 683 | 2016 |
| Understanding the basics of QSAR for applications in pharmaceutical sciences and risk assessment K Roy, S Kar, RN Das Academic press, 2015 | 674 | 2015 |
| On two novel parameters for validation of predictive QSAR models P Pratim Roy, S Paul, I Mitra, K Roy Molecules 14 (5), 1660-1701, 2009 | 671 | 2009 |
| Further exploring rm2 metrics for validation of QSPR models PK Ojha, I Mitra, RN Das, K Roy Chemometrics and Intelligent Laboratory Systems 107 (1), 194-205, 2011 | 586 | 2011 |
| Comparative studies on some metrics for external validation of QSPR models K Roy, I Mitra, S Kar, PK Ojha, RN Das, H Kabir Journal of chemical information and modeling 52 (2), 396-408, 2012 | 507 | 2012 |
| Some case studies on application of “rm2” metrics for judging quality of quantitative structure–activity relationship predictions: Emphasis on scaling of response … K Roy, P Chakraborty, I Mitra, PK Ojha, S Kar, RN Das Journal of computational chemistry 34 (12), 1071-1082, 2013 | 447 | 2013 |
| A primer on QSAR/QSPR modeling: fundamental concepts K Roy, S Kar, RN Das Springer, 2015 | 446 | 2015 |
| On some aspects of validation of predictive quantitative structure–activity relationship models K Roy Expert opinion on drug discovery 2 (12), 1567-1577, 2007 | 364 | 2007 |
| Exploring the impact of size of training sets for the development of predictive QSAR models PP Roy, JT Leonard, K Roy Chemometrics and Intelligent Laboratory Systems 90 (1), 31-42, 2008 | 348 | 2008 |
| Green chemistry in the synthesis of pharmaceuticals S Kar, H Sanderson, K Roy, E Benfenati, J Leszczynski Chemical Reviews 122 (3), 3637-3710, 2021 | 345 | 2021 |
| Exploring quantitative structure–activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants I Mitra, A Saha, K Roy Molecular Simulation 36 (13), 1067-1079, 2010 | 322 | 2010 |
| On various metrics used for validation of predictive QSAR models with applications in virtual screening and focused library design K Roy, I Mitra Combinatorial chemistry & high throughput screening 14 (6), 450-474, 2011 | 321 | 2011 |
| On selection of training and test sets for the development of predictive QSAR models JT Leonard, K Roy QSAR & Combinatorial Science 25 (3), 235-251, 2006 | 287 | 2006 |
| Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection PK Ojha, K Roy Chemometrics and Intelligent Laboratory Systems 109 (2), 146-161, 2011 | 256 | 2011 |
| “NanoBRIDGES” software: open access tools to perform QSAR and nano-QSAR modeling P Ambure, RB Aher, A Gajewicz, T Puzyn, K Roy Chemometrics and Intelligent Laboratory Systems 147, 1-13, 2015 | 194 | 2015 |
| Statistical methods in QSAR/QSPR K Roy, S Kar, RN Das, K Roy, S Kar, RN Das A Primer on QSAR/QSPR Modeling: Fundamental Concepts, 37-59, 2015 | 168 | 2015 |
| Advances in QSPR/QSTR models of ionic liquids for the design of greener solvents of the future RN Das, K Roy Molecular diversity 17, 151-196, 2013 | 161 | 2013 |
| Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques K Roy, PP Roy European journal of medicinal chemistry 44 (7), 2913-2922, 2009 | 159 | 2009 |
Supratik KarAssistant Professor, Dept. of Chemistry, Kean University, New Jersey, USA確認したメール アドレス: kean.edu