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Published January 25, 2025 | Version HID120_20250124
Dataset Open

Selected Download Files from the PFAS Tree

Authors/Creators

  • 1. ROR icon University of Luxembourg

Description

This is an archive of download files from certain sections of the PFAS and Fluorinated Compounds in PubChem. Details about the "PFAS Tree" are available in the documentation and described in Schymanski et al. (2023) DOI: 10.1021/acs.est.3c04855. Please cite the article if you use these resources.

The files provided are:

  • All (merged) entries in the CompTox Lists - 17,499 entries
  • All (merged) entries in the NORMAN-SLE Lists - 6,424 entries
  • All entries in the NIST PFAS List - 4,964 entries
  • All (merged) entries in the Regulatory Collections - 27,687 entries
  • All (merged) entries in the "OECD PFAS Definition" node - 6,957,730 entries
    (this is all neutral PFAS species in PubChem meeting the OECD PFAS definition as of 24 Jan 2025) 
  • All (merged) entries in the "PFAS Breakdowns by Chemistry" section that are NOT in the OECD PFAS definition node. These are salts, mixtures and other species not in the OECD PFAS Definition node - 1,034,089 entries. Combined with the "OECD PFAS Definition" file, these form the entire "PFAS Breakdowns by Chemistry" section (7,988,858 entries combined). 
  • A tab separated mapping file explaining the column headers.

 

Files

PubChem_compound_cache_Regulatory_PFAS_collections.csv

Additional details