10.23645/epacomptox.8068211.v1
EPA's National Center for Computational Toxicology
EPA's National Center for Computational
Toxicology
DSSTox v2000
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure
2023
DTXSID
Chemicals Dashboard
DSSTox
Structural Analysis
structure identification
Toxicology
2023-01-31 21:29:23
Dataset
https://epa.figshare.com/articles/dataset/DSSTox_v2000/8068211
<p>V2000 SDF File Format: This zip file contains
the entire chemical structure collection of over 850,000 chemicals from the
DSSTox database contained in one large zipped v2000 SDF file. The file contains
the structure, The DSSTox Structure Identifier (DTXCID), The DSSTOX Substance
Identifier (DTXSID listed as PubChem External Data Source), the associated
Dashboard URL, associated synonyms and Quality Control Level details. This file
differs from the V3000 SDF file available at <a>ftp://newftp.epa.gov/COMPTOX/Sustainable_Chemistry_Data/Chemistry_Dashboard/2019/April/DSSToxSDF.zip</a>
in that all Markush representations have been removed and enhanced
stereochemistry is no longer represented. In order to view an SDF file you will
need to have access to the appropriate piece of software to open an SDF files.
Examples include ChemAxon JChem, ACD/ChemFolder or ChemDraw. (UPDATED MAY
2019) </p>