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>

DSSTox Structure-Browser information Page

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