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

Ettayapuram Ramaprasad Azhagiya Singam, Phum Tachachartvanich, Denis Fourches, Anatoly Soshilov, Jennifer C.Y. Hsieh, Michele A. La Merrill, Martyn T. Smith, Kathleen A. Durkin

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