Quantitative Read-across structure-activity relationship (q-RASAR): A new approach methodology to model aquatic toxicity of organic pesticides against different fish species
Shilpayan Ghosh, Mainak Chatterjee, Kunal Roy
Topics & Concepts
Quantitative structure–activity relationshipAquatic toxicologyEcotoxicityRainbow troutInterpretabilityPartial least squares regressionEcologyFish <Actinopterygii>Artificial intelligenceBiologyMathematicsMachine learningFisheryStatisticsComputer scienceToxicityChemistryOrganic chemistryComputational Drug Discovery MethodsEnvironmental Toxicology and EcotoxicologySpectroscopy and Chemometric Analyses