DSSTox Graphic Flowchart
Molecular structures are content-rich, unique chemical identifiers with intrinsic and widely understood meaning. |
Publicly available toxicity databases exist in many locations and file formats, often are not downloadable in their entirety, and most do not contain chemical structures. |
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We collaborate with outside toxicity experts (i.e., DSSTox
Sources) to acquire an existing toxicity database or chemical list, annotate the
list with DSSTox
Standard Chemical Fields, convert it to standardized Structure
Data Format (SDF), and add documentation files prior to publishing
on this site. |
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Users can visit this website to freely access and
download DSSTox structure data files in their entirety. The DSSTox
Community is an integral part of this effort, providing ideas,
feedback, error reports, and entering into collaborations to publish
an expanded list of toxicity databases and structure data files on the DSSTox website. |
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Once
downloaded by users, DSSTox data files can be imported into any Structure Browser or Chemical Relational Database application
for structural analog searching, or the data can be analyzed by
any means and used to develop improved structure-activity relationship
toxicity prediction models. Such models can be used to estimate
the potential toxicity of environmental, industrial, or pharmaceutical
chemicals for which toxicity data are unavailable. |