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National Center for Computational Toxicology (NCCT)



As of September 30, 2015, this website will be taken down as part of an EPA-wide move to transfer all web content to DRUPAL, an open-source website platform. The EPA DSSTox project remains active and has undergone significant expansion in content and organization to service the growing needs of EPA’s National Center for Computational Toxicology. After September 30, a link to a new DRUPAL DSSTox website will be posted at the following EPA URL:


All historical DSSTox data and documentation files, and website content can continue to be accessed after September 30th in archival form from the DSSTox public ftp site:


A new EPA DSSTox website and associated web tools are under construction, so please stay tuned and thank you for your continued interest!

Distributed Structure-Searchable Toxicity (DSSTox) Database Network is a project of EPA's National Center for Computational Toxicology, helping to build a public data foundation for improved structure-activity and predictive toxicology capabilities. The DSSTox website provides a public forum for publishing downloadable, structure-searchable, standardized chemical structure files associated with chemical inventories or toxicity data sets of environmental relevance. More

Graphic linking to EPA DSSTox Structure-Browser v1.0v 2.0

DSSTox Structure-Browser information Page


10 April 2012

TOXCST: Research Chemical Inventory for EPA's ToxCastTM Program Structure-Index File Updated File
Structure-index file containing the full library listing of 1940 unique compounds in all phases of EPA's ToxCast™ high-throughput screening program, including coverage of the original Phase I (v1_309) set, an updated Phase I set (v2_293), 767 new unique compounds added in Phase II and 880 newly added for the e1k endocrine assay screening program.

TOX21S: Tox21 Chemical Inventory for High-Throughput Screening Structure-Index File Updated File
Structure-index file containing the revised full library of 8193 unique compounds (a total of more than 10,000 chemicals with duplicates) being tested in the Tox21 high-throughput screening program, with compound set contributions from three of the main Tox21 partners (U.S. EPA, National Toxicology Program, and NIH's Chemical Genomics Center).

09 August 2011

Problem Resolution: DSSTox Structure Browser works in Mozilla FireFox v 5.0 or newer from a revised URL: http://epa.gov/dsstox_structurebrowser/

For complete listing of past DSSTox postings, see Recent Additions & History

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