dsstox

is a Data Source.

It is part of the BER collection.

EPA's Distributed Structure-Searchable Toxicity (DSSTox) Database contains curated chemical substances mapped to data including chemical identifiers and structure representations, providing the chemical underpinning for EPA's computational toxicology tools.

Domains

biomedical, chemistry and biochemistry, environment, health

License

CC0

Homepage

dsstox

Repository

Unknown

Infores ID

Unknown

FAIRsharing ID

Unknown

Product Summary

Products

From this Resource
ID Name URL Category Format Description
dsstox.complete DSSTox Complete Database epacomptox.5588566 Product csv The complete DSSTox database containi...
dsstox.dashboard CompTox Chemicals Dashboard dashboard GraphicalInterface http The CompTox Chemicals Dashboard provi...
dsstox.api CompTox API index.html ProgrammingInterface ❔ Public API for programmatic access to...
dsstox.description ⚠ DSSToxDB Description 6616d945e4b063812d70fcb5?dataset=61147fefe4b0856fdc65639b&space=&folder=6616d85ce4b063812d70fc8f DocumentationProduct docx Documentation for the DSSTox database
From other Resources
ID Name URL Category Format Description
alzkb.browser AlzKB Graph Database Browser login GraphicalInterface http A browser interface for a knowledge g...
alzkb.data AlzKB Data Release (Version 2.0.0) v2.0.0 GraphProduct ❔ Memgraph data release for AlzKB.

Details

DSSTox

The Distributed Structure-Searchable Toxicity (DSSTox) Database is maintained by the US Environmental Protection Agency (EPA) Center for Computational Toxicology and Exposure (CCTE). It serves as a comprehensive chemical resource that currently includes over 1.2 million chemical substances with accurate mappings between chemical structures and identifiers such as Chemical Abstract Service Registry Numbers (CAS RNs) and chemical names.

Overview

DSSTox provides the chemical foundation for several EPA computational toxicology applications including:

  • The CompTox Chemicals Dashboard
  • The Ecotoxicity Knowledgebase
  • The Chemical Exposure Knowledgebase
  • Other computational toxicology tools

Since its inception in 2004, DSSTox has focused on high-quality data curation to ensure accurate chemical structure alignment with identifiers. This accuracy is critical for chemical risk assessments and computational toxicology applications.

Data Content

The database includes:

  • Chemical identifiers (synonyms, systematic names, CAS RNs)
  • Chemical structure representations
  • Mappings to InChIKeys, SMILES, molecular formulas
  • Physical-chemical properties
  • Links to toxicity and bioactivity data

Access

DSSTox data is publicly available through:

  1. The CompTox Chemicals Dashboard web interface
  2. Downloadable Excel/CSV files through the EPA’s figshare repository
  3. A public API for programmatic access
  4. Integration with other EPA tools and databases

All data is provided under a Creative Commons Zero (CC0) public domain dedication, allowing unrestricted use of the data.

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Created: June 24, 2025 | Last modified: February 20, 2026