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Structure-based virtual screening of perfluoroalkyl and polyfluoroalkyl substances (PFASs) as endocrine disruptors of androgen receptor activity using molecular docking and machine learning

Molecular DockingEndocrine DisruptorsVirtual ScreeningEngineeringMachine LearningDrug TargetMedicineHormonal ReceptorRational Drug DesignEndocrinologyPharmacologyBiomolecular EngineeringDrug DiscoveryStructure-based Virtual Screening