Copyright©2008 Antony Williams
The 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.
Ann Richard is the principal for this project, someone I really respect and acknowledge as one of the people in the domain of open chemistry data who has a specific focus on quality. Working with a very small team over the past few years the data associated with DSSTox has been stringently examined.
Their EPA DSSTox Structure-Browser, developed from available structure-viewing freeware and open-source programming tools delivers a simple, easy-to-use structure-searching capability through the chemical inventory of published DSSTox Data Files.
In their latest rollout of the DSSTox Browser they have provided new structure-based link-outs to external websites to assist users in directly accessing structure-related content and capabilities on external public websites of potential interest to the DSSTox user community. Link-out from the DSSTox Structure Browser is based on InChIKey (conforming to ChemSpider conventions for InChIKey generation).