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Toxicology|November 22, 2023
Development of a read-across-derived classification model for the predictions of mutagenicity data and its comparison with traditional QSAR models and expert systemsSapna Kumari Pandey, Kunal RoyCurrent Computer-Aided Drug Design|February 2, 2019
Computational Approaches as Rational Decision Support Systems for Discovering Next-Generation Antitubercular Agents: Mini-ReviewRahul Balasaheb Aher, Kunal RoyRSC Advances|May 13, 2022
PLS regression-based chemometric modeling of odorant properties of diverse chemical constituents of black tea and coffeeProbir Kumar Ojha, Kunal RoyJournal of Enzyme Inhibition and Medicinal Chemistry|July 9, 2008
Predictive QSAR modeling of CCR5 antagonist piperidine derivatives using chemometric toolsKunal Roy, Asim Sattwa MandalJournal of Enzyme Inhibition and Medicinal Chemistry|July 9, 2008
Development of linear and nonlinear predictive QSAR models and their external validation using molecular similarity principle for anti-HIV indolyl aryl sulfonesKunal Roy, Asim Sattwa MandalChemical Biology & Drug Design|November 18, 2008
Comparative QSAR studies of CYP1A2 inhibitor flavonoids using 2D and 3D descriptorsKunal Roy, Partha Pratim RoyEuropean Journal of Medicinal Chemistry|August 17, 2010
Chemometric modeling, docking and in silico design of triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors as antimalarialsProbir Kumar Ojha, Kunal RoyThe Journal of Pharmacy and Pharmacology|November 9, 2010
Molecular docking and QSAR studies of aromatase inhibitor androstenedione derivativesPartha Pratim Roy, Kunal RoyJournal of Hazardous Materials|April 24, 2013
QSTR with extended topochemical atom (ETA) indices. 16. Development of predictive classification and regression models for toxicity of ionic liquids towards Daphnia magnaKunal Roy, Rudra Narayan DasBio Systems|July 16, 2013
First report on exploring structural requirements of α and β thymidine analogs for PfTMPK inhibitory activity using in silico studiesProbir Kumar Ojha, Kunal RoyPageof 28