Quantitative read-across structure-activity relationship (q-RASAR): A novel approach to estimate the subchronic oral safety (NOAEL) of diverse organic chemicals in rats
Shilpayan Ghosh, Kunal Roy
Topics & Concepts
Quantitative structure–activity relationshipSimilarity (geometry)Partial least squares regressionMolecular descriptorMathematicsBiological systemComputer scienceStatisticsArtificial intelligenceMachine learningBiologyImage (mathematics)Computational Drug Discovery MethodsAnimal testing and alternativesEnvironmental Toxicology and Ecotoxicology