DSSTox

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 toxicity data. More>

v2.0

DSSTox Structure-Browser information Page

15 September 2008

NTPBSI: National Toxicology Program Bioassay On-line Database Structure-Index Locator File ** Updated to v4a
Corresponds to updated content of NTP website, with addition of 12 new records and studies.

15 August 2008

Expanded "link-in" options and user-defined limits to allow external websites to access DSSTox Structure Browser Search Results pages
Minimum of 10 structure similarity hits displayed regardless of similarity search threshold
New External Resources feature provides structure-based "link-outs" to public on-line resources, such as PubChem, ChemSpider, and Lazar In Silico Toxicology ; (link-out to EPA ACToR coming soon, est. Sept. 2008)
Structure "hit" resubmit feature, from either text or structure search, to faciliate structure look-up and searching

29 April 2008

Minor QA revisions to TOXCST and CPDBAS.

24 April 2008

NTPBSI: National Toxicology Program Bioassay On-line Database Structure-Index Locator File ** Updated to v3a

All current DSSTox Data File substance inventories are now available in PubChem, with explicit DSSTox bioassay summary data provided for main data files (see listing below).

Note: Updated instructions and PubChem_SID txt files for use in searching and retrieving PubChem data for DSSTox substances will soon be posted on this website (est. May 2008).

25 February 2008

***File Updates and Enhancements:

Addition of new DSSTox Standard Chemical Field to all files: STRUCTURE_InChIKey

Additional QA review, structure/CAS modifications, elimination of abbreviations in field entries, etc.

Addition of categorical and ranked activity summary fields in 5 DSSTox Data Files (CPDBAS, DBPCAN, EPAFHM, FDAMDD, NCTRER), corresponding to standard PubChem bioassay activity fields:

PUBCHEM_ACTIVITY_OUTCOME (active/inactive/inconclusive):

ActivityOutcome_CPDBAS_Rat
ActivityOutcome_CPDBAS_Mouse
ActivityOutcome_CPDBAS_Hamster
ActivityOutcome_CPDBAS_Dog_Primates
ActivityOutcome_CPDBAS_Mutagenicity
ActivityOutcome_CPDBAS_SingleCellCall
ActivityOutcome_CPDBAS_MultiCellCall
ActivityOutcome_DBPCAN
ActivityOutcome_EPAFHM
ActivityOutcome_NCTRER

PUBCHEM_ACTIVITY_SCORE [log(1/ activity) mapped onto INTEGER[0-100] range):

ActivityScore_CPDBAS_Rat
ActivityScore_CPDBAS_Mouse
ActivityScore_CPDBAS_Hamster
ActivityScore_DBPCAN
ActivityScore_EPAFHM
ActivityScore_FDAMDD
ActivityScore_NCTRER