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 | 686 | 2016 |
Understanding the basics of QSAR for applications in pharmaceutical sciences and risk assessment K Roy, S Kar, RN Das Academic press, 2015 | 680 | 2015 |
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 | 581 | 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 | 506 | 2012 |
Some case studies on application of “rm2” metrics for judging quality of quantitative structure–activity relationship predictions: emphasis on scaling of response data K Roy, P Chakraborty, I Mitra, PK Ojha, S Kar, RN Das Journal of computational chemistry 34 (12), 1071-1082, 2013 | 455 | 2013 |
A primer on QSAR/QSPR modeling: fundamental concepts K Roy, S Kar, RN Das Springer, 2015 | 448 | 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 | 171 | 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 | 159 | 2013 |
Quantitative structure–activity relationship for toxicity of ionic liquids to Daphnia magna: Aromaticity vs. lipophilicity K Roy, RN Das, PLA Popelier Chemosphere 112, 120-127, 2014 | 101 | 2014 |
A review on principles, theory and practices of 2D-QSAR K Roy, R Narayan Das Current drug metabolism 15 (4), 346-379, 2014 | 84 | 2014 |
Validation of QSAR models K Roy, S Kar, RN Das Understanding the basics of QSAR for applications in pharmaceutical sciences …, 2015 | 81 | 2015 |
Introduction of rm2 (rank) metric incorporating rank-order predictions as an additional tool for validation of QSAR/QSPR models K Roy, I Mitra, PK Ojha, S Kar, RN Das, H Kabir Chemometrics and Intelligent Laboratory Systems 118, 200-210, 2012 | 81 | 2012 |
Predictive modeling studies for the ecotoxicity of ionic liquids towards the green algae Scenedesmus vacuolatus RN Das, K Roy Chemosphere 104, 170-176, 2014 | 76 | 2014 |
On some novel extended topochemical atom (ETA) parameters for effective encoding of chemical information and modelling of fundamental physicochemical properties K Roy, RN Das SAR and QSAR in Environmental Research 22 (5-6), 451-472, 2011 | 74 | 2011 |
Selected statistical methods in QSAR K Roy, S Kar, RN Das Understanding the basics of QSAR for applications in pharmaceutical sciences …, 2015 | 59 | 2015 |
QSTR with extended topochemical atom (ETA) indices. 16. Development of predictive classification and regression models for toxicity of ionic liquids towards Daphnia magna K Roy, RN Das Journal of hazardous materials 254, 166-178, 2013 | 59 | 2013 |
Development of classification and regression models for Vibrio fischeri toxicity of ionic liquids: green solvents for the future RN Das, K Roy Toxicology Research 1 (3), 186-195, 2012 | 59 | 2012 |
Other related techniques K Roy, S Kar, RN Das Understanding the basics of QSAR for applications in pharmaceutical sciences …, 2015 | 54 | 2015 |
Predictive QSAR modelling of algal toxicity of ionic liquids and its interspecies correlation with Daphnia toxicity K Roy, RN Das, PLA Popelier Environmental Science and Pollution Research 22, 6634-6641, 2015 | 49 | 2015 |
Monte Carlo method based QSAR studies of Mer kinase inhibitors in compliance with OECD principles P Kumar, A Kumar Drug Research 68 (04), 189-195, 2018 | 45 | 2018 |