Determination of “fitness-for-purpose” of quantitative structure-activity relationship (QSAR) models to predict (eco-)toxicological endpoints for regulatory use
Samuel J. Belfield, Steven J. Enoch, James W. Firman, Judith C. Madden, T.W. Schultz, M Cronin
Topics & Concepts
InterpretabilityQuantitative structure–activity relationshipRelevance (law)Computer scienceRisk assessmentData miningRisk analysis (engineering)Machine learningMedicinePolitical scienceComputer securityLawComputational Drug Discovery MethodsChemistry and Chemical EngineeringEnvironmental Toxicology and Ecotoxicology