Distributed Structure-Searchable Toxicity (DSSTox) Database
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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