Archived Distributed Structure-Searchable Toxicity (DSSTox) Data
Version 2 2024-04-11, 16:39Version 2 2024-04-11, 16:39
Version 1 2019-02-01, 15:02Version 1 2019-02-01, 15:02
dataset
posted on 2024-04-11, 16:39authored byEPA'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.