Predicting molecular docking of per- and polyfluoroalkyl substances to blood protein using generative artificial intelligence algorithm DiffDock.

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作者： Dhan Lord,B Fortela ^[1] ; Ashley P,Mikolajczyk ^[2] ; Miranda R,Carnes ^[1] ; Wayne,Sharp ^[2] ; Emmanuel,Revellame ^[1] ; Rafael,Hernandez ^[2] ; William E,Holmes ^[3] ; Mark E,Zappi ^[1]

作者单位： Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA. ^[1] Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA. ^[2] Department of Civil Engineering, University of Louisiana, Lafayette, LA 70504, USA. ^[3]

关键词 blood proteins generative artificial intelligence human health molecular docking per- and polyfluoroalkyl substances target-based screening

主题词人类(Humans);人工智能(Artificial Intelligence);算法(Algorithms);血蛋白质类(Blood Proteins);氟碳化合物(Fluorocarbons)

DOI 10.2144/btn-2023-0070

PMID 37947020

发布时间 2024-02-28

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