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Chemical Research in Toxicology|March 25, 2026
Machine Learning-Based Quantitative Structure Activity Relationship Modeling of Repeated Dose Toxicity: A Data-Driven Approach Following Organisation for Economic Co-operation and Development Test Guidelines 407, 408, and 422 Supported by Experimental ValidationSouvik Pore, Zsuzsanna Szepesi, Kunal RoyJournal of Molecular Modeling|August 19, 2011
Development of multiple QSAR models for consensus predictions and unified mechanistic interpretations of the free-radical scavenging activities of chromone derivativesIndrani Mitra, Achintya Saha, Kunal RoyEuropean Journal of Medicinal Chemistry|August 31, 2010
Chemometric modeling of free radical scavenging activity of flavone derivativesIndrani Mitra, Achintya Saha, Kunal RoyChemosphere|September 3, 2021
QSAR modelling of inhalation toxicity of diverse volatile organic molecules using no observed adverse effect concentration (NOAEC) as the endpointAniket Nath, Priyanka De, Kunal RoyBioorganic & Medicinal Chemistry|May 26, 2004
QSAR modeling of globulin binding affinity of corticosteroids using AM1 calculationsKakali De, Chandana Sengupta, Kunal RoyJournal of Hazardous Materials|March 5, 2019
Ecotoxicological QSAR modeling of endocrine disruptor chemicalsKabiruddin Khan, Kunal Roy, Emilio BenfenatiBioorganic & Medicinal Chemistry Letters|April 2, 2008
Exploring predictive QSAR models for hepatocyte toxicity of phenols using QTMS descriptorsKunal Roy, Paul L A PopelierFuture Medicinal Chemistry|March 8, 2013
Predictive chemometric modeling of DPPH free radical-scavenging activity of azole derivatives using 2D- and 3D-quantitative structure-activity relationship toolsIndrani Mitra, Achintya Saha, Kunal RoyActa Poloniae Pharmaceutica|August 19, 2007
Exploring effects of different nonsteroidal antiinflammatory drugs on lipid peroxidation. Part II. 4-HNE profileSantanu Chakraborty, Kunal Roy, Chandana SenguptaAquatic Toxicology (Amsterdam, Netherlands)|November 25, 2023
Quantitative Read-across structure-activity relationship (q-RASAR): A new approach methodology to model aquatic toxicity of organic pesticides against different fish speciesShilpayan Ghosh, Mainak Chatterjee, Kunal RoyPageof 28