Computational modeling of aquatic toxicity of polychlorinated naphthalenes (PCNs) employing 2D-QSAR and chemical read-across
Aniket Nath, Probir Kumar Ojha, Kunal Roy
Topics & Concepts
Daphnia magnaAquatic toxicologyQuantitative structure–activity relationshipAquatic ecosystemDaphniaChemical toxicityEnvironmental scienceEnvironmental chemistryBiologyToxicityEcologyComputer scienceMachine learningChemistryWater pollutantsCrustaceanOrganic chemistryComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry StudiesSpectroscopy and Chemometric Analyses