is a Data Source.
EPA's Distributed Structure-Searchable Toxicity (DSSTox) database provides high-quality chemical and chemistry data underpinning several publicly available computational toxicology applications. DSSTox contains curated chemical substances mapped to chemical identifiers including CAS Registry Numbers, IUPAC names, SMILES, and InChIKeys. The database currently exceeds 1.2 million substances which includes chemical lists of interest to EPA, other federal agencies, states, tribes, industry and stakeholder groups. DSSTox provides accurate linkages of chemical structures to source substance identifiers, allowing high-quality association of chemicals to existing toxicity data, bioactivity data, experimental chemical property data and enabling structure-based predictive modeling. The database supports the CompTox Chemicals Dashboard, EcoTox Knowledgebase, Chemical Exposure Knowledgebase, and other EPA tools.
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infores:dsstoxdb
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| ID | Name | URL | Category | Format | Description |
|---|---|---|---|---|---|
| dsstoxdb.dashboard | CompTox Chemicals Dashboard | dashboard | GraphicalInterface | http | Web-based interface for searching ove... |
| dsstoxdb.downloads | DSSTox Data Downloads | 5588566 | MappingProduct | mixed | Downloadable Excel and CSV files cont... |
| dsstoxdb.api | EPA CompTox API | computational-toxicology-and-exposure-apis | ProgrammingInterface | http | Public CTX API documentation for prog... |
EPA’s Distributed Structure-Searchable Toxicity (DSSTox) database is a comprehensive public resource for high-quality chemical and chemistry data. From its inception in 2004, DSSTox has focused on quality data curation to resolve chemical identifier errors and ensure accurate chemical structure alignment with data important to assessing chemical risk.
DSSTox started as a manual curation of 7,000 chemicals and expanded using auto-loads from EPA’s Substance Registry Services (SRS), the National Library of Medicine’s ChemID, and PubChem. The curation process requires uniquely mapped identifiers (CAS RN, name, and structure) for each substance, rejecting content where any two identifiers conflict either within or across datasets.
This resource has the Information Resource identifier: infores:dsstoxdb
Created: November 19, 2025 | Last modified: June 01, 2026