is a Data Source.
It is part of the NAMs collection.
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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Email: EPA_ComptoxTools@epa.gov
| ID | Name | URL | Category | Format | Description |
|---|---|---|---|---|---|
| dsstoxdb.dashboard | CompTox Chemicals Dashboard | dashboard | Graphical Interface | http | Web-based interface for searching ove... |
| dsstoxdb.downloads | DSSTox Data Downloads | 5588566 | Mapping | mixed | Downloadable Excel and CSV files cont... |
| dsstoxdb.api | EPA CompTox API | computational-toxicology-and-exposure-apis | Programming Interface | http | Public CTX API documentation for prog... |
| dsstoxdb.chemical-api | CompTox API | chemical.html | Programming Interface | http | Public API for programmatic access to... |
| dsstoxdb.description ⚠ | DSSToxDB Description | 6616d945e4b063812d70fcb5?dataset=61147fefe4b0856fdc65639b&space=&folder=6616d85ce4b063812d70fc8f | Documentation | docx | Documentation for the DSSTox database |
| ID | Name | URL | Category | Format | Relation | Description |
|---|---|---|---|---|---|---|
| molepro.graph.nodes | Nodes for Molecular Data KP | nodes.tsv (3.4 GB) | Graph | kgx | had primary source | KGX nodes for Molecular Data KP |
| molepro.graph.edges | Edges for Molecular Data KP | edges.tsv (18.8 GB) | Graph | kgx | had primary source | KGX edges for Molecular Data KP |
| molepro.api | MolePro API | api | Programming Interface | http | had primary source | MolePro API providing access to the k... |
| molepro.trapi | MolePro TRAPI Interface | ui | Programming Interface | http | had primary source | TRAPI-compliant interface for MolePro... |
| molepro.catalog | MolePro Knowledge Sources Catalog | transformers (2.0 MB) | Product | json | had primary source | Catalog of MolePro knowledge sources ... |
| alzkb.browser | AlzKB Graph Database Browser | login | Graphical Interface | http | had primary source | A browser interface for a knowledge g... |
| alzkb.data | AlzKB Data Release (Version 2.0.0) | v2.0.0 | Graph | mixed | had primary source | Memgraph data release for AlzKB. |
| comptox-dashboard.portal | CompTox Chemicals Dashboard Web Application | dashboard | Graphical Interface | http | was derived from | Web interface to the CompTox Chemical... |
| comptox-dashboard.ctx-api | CTX (Computational Toxicology and Exposure) APIs | computational-toxicology-and-exposure-apis-about | Programming Interface | http | was derived from | The EPA Computational Toxicology and ... |
| comptox-dashboard.downloads | Downloadable Computational Toxicology Data | downloadable-computational-toxicology-data | Product | mixed | was derived from | EPA's downloadable computational toxi... |
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: October 19, 2026