| On some aspects of variable selection for partial least squares regression models PP Roy, K Roy QSAR & Combinatorial Science 27 (3), 302-313, 2008 | 926 | 2008 |
| 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 | 673 | 2009 |
| 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 |
| QSAR modeling is not “push a button and find a correlation”: a case study of toxicity of (benzo‐) triazoles on algae P Gramatica, S Cassani, PP Roy, S Kovarich, CW Yap, E Papa Molecular Informatics 31 (11‐12), 817-835, 2012 | 231 | 2012 |
| 1, 3, 4-Oxadiazoles: An emerging scaffold to target growth factors, enzymes and kinases as anticancer agents S Bajaj, V Asati, J Singh, PP Roy European journal of medicinal chemistry 97, 124-141, 2015 | 182 | 2015 |
| 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 |
| Daphnia and fish toxicity of (benzo) triazoles: Validated QSAR models, and interspecies quantitative activity–activity modelling S Cassani, S Kovarich, E Papa, PP Roy, L van der Wal, P Gramatica Journal of hazardous materials 258, 50-60, 2013 | 142 | 2013 |
| On further application of r as a metric for validation of QSAR models I Mitra, PP Roy, S Kar, PK Ojha, K Roy Journal of Chemometrics: A Journal of the Chemometrics Society 24 (1), 22-33, 2010 | 104 | 2010 |
| QSAR studies of CYP2D6 inhibitor aryloxypropanolamines using 2D and 3D descriptors PP Roy, K Roy Chemical biology & drug design 73 (4), 442-455, 2009 | 98 | 2009 |
| QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo‐) triazoles PP Roy, S Kovarich, P Gramatica Journal of computational chemistry 32 (11), 2386-2396, 2011 | 77 | 2011 |
| Comparative QSAR studies of CYP1A2 inhibitor flavonoids using 2D and 3D descriptors K Roy, PP Roy Chemical biology & drug design 72 (5), 370-382, 2008 | 70 | 2008 |
| QSAR of adenosine receptor antagonists: Exploring physicochemical requirements for binding of pyrazolo [4, 3-e]-1, 2, 4-triazolo [1, 5-c] pyrimidine derivatives with human … DP Kishore, C Balakumar, AR Rao, PP Roy, K Roy Bioorganic & medicinal chemistry letters 21 (2), 818-823, 2011 | 52 | 2011 |
| Molecular docking and QSAR studies of aromatase inhibitor androstenedione derivatives PP Roy, K Roy Journal of Pharmacy and Pharmacology 62 (12), 1717-1728, 2010 | 52 | 2010 |
| Synthesis, thymidine phosphorylase inhibitory and computational study of novel 1, 3, 4-oxadiazole-2-thione derivatives as potential anticancer agents S Bajaj, PP Roy, J Singh Computational Biology and Chemistry 76, 151-160, 2018 | 50 | 2018 |
| QSAR of cytochrome inhibitors K Roy, PP Roy Expert Opinion on Drug Metabolism & Toxicology 5 (10), 1245-1266, 2009 | 44 | 2009 |
| 1, 3, 4-oxadiazoles as telomerase inhibitor: Potential anticancer agents S Bajaj, PP Roy, J Singh Anti-Cancer Agents in Medicinal Chemistry (Formerly Current Medicinal …, 2017 | 40 | 2017 |
| QSPR of the bioconcentration factors of non-ionic organic compounds in fish using extended topochemical atom (ETA) indices K Roy, I Sanyal, PP Roy SAR and QSAR in Environmental Research 17 (6), 563-582, 2006 | 39 | 2006 |
| Docking and 3D-QSAR studies of diverse classes of human aromatase (CYP19) inhibitors PP Roy, K Roy Journal of molecular modeling 16, 1597-1616, 2010 | 38 | 2010 |
| Synthesis and evaluation of anticancer activity of 1, 3, 4-oxadiazole derivatives against Ehrlich ascites carcinoma bearing mice and their correlation with histopathology of liver PP Roy, S Bajaj, TK Maity, J Singh Indian J Pharm Educ 15, 16, 2017 | 34 | 2017 |
| Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques K Roy, PP Roy European journal of medicinal chemistry 44 (5), 1941-1951, 2009 | 33 | 2009 |