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Ann M Richard1, Ryan Lougee2, Matthew Adams2
1Center for Computational Toxicology & Exposure, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, Durham, North Carolina 27711, United States.
This study introduces novel PFAS-specific chemotypes (TxP_PFAS) for analyzing per- and polyfluoroalkyl substances (PFAS). These chemotypes enable automated, structure-based categorization of PFAS, improving chemical inventory analysis.
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