Predictive in silico models for aquatic toxicity of cosmetic and personal care additive mixtures
Yuting Yang, Hong‐Gang Ni
Topics & Concepts
Quantitative structure–activity relationshipAquatic toxicologyMolecular descriptorPartial least squares regressionToxicityBiological systemDaphnia magnaLinear regressionMethylparabenChemistryBiochemical engineeringComputer scienceMachine learningBiologyPreservativeFood scienceEngineeringOrganic chemistryComputational Drug Discovery MethodsPharmaceutical and Antibiotic Environmental ImpactsChemistry and Chemical Engineering