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ToxCast & Tox21 Chemicals Distributed Structure-Searchable Toxicity Database (DSSTox files)
Datasets usually provide raw data for analysis. This raw data often comes in spreadsheet form, but can be any collection of data, on which analysis can be performed.
Chemical lists and information for 9,403 unique substances (DTXSIDs) and DSSTox standard chemical fields (chemical name; CASRN; structure; etc.). These chemicals have been evaluated through the ToxCast and Tox21 high-throughput screening efforts.