File(s) stored somewhere else

https://gaftp.epa.gov/COMPTOX/NCCT_Publication_Data/Williams_A/CFM-ID/CFM-ID_metadata_DTXCID.csv

Please note: Linked content is NOT stored on The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure and we can't guarantee its availability, quality, security or accept any liability.

Chemical Metadata from the CompTox Chemicals Dashboard Linked to Predicted Spectra

Version 2 2024-04-11, 16:39

Version 1 2019-02-01, 15:02

dataset

posted on 2019-02-01, 15:02 authored by EPA's National Center for Computational Toxicology

Chemical metadata from the CompTox Chemicals Dashboard are linked through the unique DSSTox chemical identifier (DTXCID) enabling integration to predicted mass spectral data. Chemical metadata includes CASRN, molecular formula, SMILES, presence in lists, and data source occurrences.