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Molecular Screening and Toxicity Estimation of 260, 000 Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) through Machine Learning

Thanh T. Lai, David M. Kuntz, Angela K. Wilson. Molecular Screening and Toxicity Estimation of 260, 000 Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) through Machine Learning. Journal of Chemical Information and Computer Sciences, 62(19):4569-4578, 2022. [doi]

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