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Expert Opinion on Drug Discovery|March 18, 2025
Embracing the changes and challenges with modern early drug discoveryVinay Kumar, Kunal RoyJournal of Hazardous Materials|July 28, 2023
"Data fusion" quantitative read-across structure-activity-activity relationships (q-RASAARs) for the prediction of toxicities of binary and ternary antibiotic mixtures toward three bacterial speciesMainak Chatterjee, Kunal RoyEnvironmental Science. Processes & Impacts|May 14, 2024
ARKA: a framework of dimensionality reduction for machine-learning classification modeling, risk assessment, and data gap-filling of sparse environmental toxicity dataArkaprava Banerjee, Kunal RoyEnvironmental Science. Processes & Impacts|September 8, 2023
Read-across-based intelligent learning: development of a global q-RASAR model for the efficient quantitative predictions of skin sensitization potential of diverse organic chemicalsArkaprava Banerjee, Kunal RoyChemosphere|August 28, 2009
QSTR with extended topochemical atom (ETA) indices. 12. QSAR for the toxicity of diverse aromatic compounds to Tetrahymena pyriformis using chemometric toolsKunal Roy, Gopinath GhoshChemosphere|September 19, 2022
Chemical similarity and machine learning-based approaches for the prediction of aquatic toxicity of binary and multicomponent pharmaceutical and pesticide mixtures against Aliivibrio fischeriMainak Chatterjee, Kunal RoyJournal of Hazardous Materials|January 2, 2021
Prediction of aquatic toxicity of chemical mixtures by the QSAR approach using 2D structural descriptorsMainak Chatterjee, Kunal RoyNanotoxicology|February 15, 2022
Modeling and mechanistic understanding of cytotoxicity of metal oxide nanoparticles (MeOxNPs) to Escherichia coli: categorization and data gap filling for untested metal oxidesJoyita Roy, Kunal RoyJournal of Molecular Modeling|June 27, 2003
Comparative QSPR studies with molecular connectivity, molecular negentropy and TAU indices. Part I: molecular thermochemical properties of diverse functional acyclic compoundsKunal Roy, Achintya SahaBioorganic & Medicinal Chemistry|January 27, 2005
QSTR with extended topochemical atom indices. Part 5: Modeling of the acute toxicity of phenylsulfonyl carboxylates to Vibrio fischeri using genetic function approximationKunal Roy, Gopinath GhoshPageof 28