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 ToxicologyChemical
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.
