Steve I think this is very interesting idea and one that a lot of folk would be interested in. I wonder what is the interest in such a specific search? Cannot other search mechanisms provide the information you are looking for?
Stuart > On Dec 1, 2020, at 9:38 AM, Steve Vestal <steve.ves...@adventiumlabs.com> > wrote: > > Does anyone know of a structure database that can be queried using an > RDF query language like SPARQL? PubChemRDF can be accessed in RDF > format, but it encodes structures as SMILES strings, which cannot be > queried in this way. > > If not, can anyone suggest open source software that might be used to > construct a modest RDF dataset from an existing structure database for > the purpose of experimenting? For example, software that can translate > SMILES strings into an annotated graph data structure of some sort? > > Thanks in advance for any suggestions. > > > > > _______________________________________________ > Blueobelisk-discuss mailing list > Blueobelisk-discuss@lists.sourceforge.net > https://nam10.safelinks.protection.outlook.com/?url=https%3A%2F%2Flists.sourceforge.net%2Flists%2Flistinfo%2Fblueobelisk-discuss&data=04%7C01%7Cschalk%40unf.edu%7Ccaab47cb95454c2d2f5e08d8960a5f35%7Cdf29b2fa8929482f9dbb60ff4df224c4%7C1%7C1%7C637424319424536317%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=jPtPnOKzNqyJ4DO79FYl%2Bg8EHNfY6H%2BY7Od2220MnF0%3D&reserved=0 _______________________________________________ Blueobelisk-discuss mailing list Blueobelisk-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
