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Chemical Research in Toxicology|August 16, 2023
Prediction-Inspired Intelligent Training for the Development of Classification Read-across Structure-Activity Relationship (c-RASAR) Models for Organic Skin Sensitizers: Assessment of Classification Error Rate from Novel Similarity CoefficientsArkaprava Banerjee, Kunal RoyEnvironmental Science. Processes & Impacts|December 11, 2023
Predictive binary mixture toxicity modeling of fluoroquinolones (FQs) and the projection of toxicity of hypothetical binary FQ mixtures: a combination of 2D-QSAR and machine-learning approachesMainak Chatterjee, Kunal RoyJournal of Molecular Modeling|October 27, 2005
QSTR with extended topochemical atom (ETA) indices. VI. Acute toxicity of benzene derivatives to tadpoles (Rana japonica)Kunal Roy, Gopinath GhoshChemosphere|August 10, 2010
First report on interspecies quantitative correlation of ecotoxicity of pharmaceuticalsSupratik Kar, Kunal RoyJournal of Chemical Information and Computer Sciences|March 23, 2004
QSTR with extended topochemical atom indices. 2. Fish toxicity of substituted benzenesKunal Roy, Gopinath GhoshEnvironmental Science and Pollution Research International|October 31, 2013
Modeling bioconcentration factor (BCF) using mechanistically interpretable descriptors computed from open source tool "PaDEL-Descriptor"Subrata Pramanik, Kunal RoyEuropean Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences|June 3, 2014
The rm2 metrics and regression through origin approach: reliable and useful validation tools for predictive QSAR models (Commentary on 'Is regression through origin useful in external validation of QSAR models?')Kunal Roy, Supratik KarMolecular Informatics|August 2, 2016
Prediction of hERG Potassium Channel Blocking Actions Using Combination of Classification and Regression Based Models: A Mixed Descriptors ApproachSupratik Kar, Kunal RoyJournal of Hazardous Materials|July 25, 2025
A new approach methodology (NAM) for carcinogenicity prediction of organic chemicals using the multiclass ARKA framework and machine-learning-based stacking regressionArkaprava Banerjee, Kunal RoyComputational and Structural Biotechnology Journal|July 28, 2025
"intelligent Read Across (iRA)"- A tool for read-across-based toxicity prediction of nanoparticlesSouvik Pore, Kunal RoyPageof 28