Please have a look at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0282-y
On Tue, Dec 1, 2020 at 4:04 PM 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://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss > -- Have you heard about Wikidata already? "Use Scholia and Wikidata to find scientific literature" is a new tutorial from my colleague Lauren Dupuis. https://laurendupuis.github.io/Scholia_tutorial/ ----- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: https://www.zotero.org/egonw ORCID: 0000-0001-7542-0286 <http://orcid.org/0000-0001-7542-0286> ImpactStory: https://impactstory.org/u/egonwillighagen
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