Uncertainty-Informed Deep Transfer Learning of Perfluoroalkyl and Polyfluoroalkyl Substance Toxicity

Feinstein, Jeremy; Sivaraman, Ganesh; Picel, Kurt; Peters, Brian; Vázquez-Mayagoitia, Álvaro; Ramanathan, Arvind; MacDonell, Margaret; Foster, Ian; Yan, Eugene

doi:10.1021/acs.jcim.1c01204

Uncertainty-Informed Deep Transfer Learning of Perfluoroalkyl and Polyfluoroalkyl Substance Toxicity

Journal Article · 13 December 2021 · Journal of Chemical Information and Modeling

DOI:https://doi.org/10.1021/acs.jcim.1c01204· OSTI ID:1835619

Feinstein, Jeremy ^[1]; ^[2]; Picel, Kurt ^[1]; Peters, Brian ^[1]; ^[3]; Ramanathan, Arvind ^[2]; MacDonell, Margaret ^[1]; Foster, Ian ^[2]; ^[1]

Environmental Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States
Data Science and Learning Division, Argonne National Laboratory, Lemont, Illinois 60439, United States
Computational Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States

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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1835619

Alternate ID(s):: OSTI ID: 1837500
OSTI ID: 1959964

Journal Information:: Journal of Chemical Information and Modeling, Journal Name: Journal of Chemical Information and Modeling Journal Issue: 12 Vol. 61; ISSN 1549-9596

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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