On Thu, Dec 3, 2020 at 12:08 PM Steve Vestal <steve.ves...@adventiumlabs.com> wrote:
> Does anyone know of an open source software package that can convert > SMILES strings into RDF (brass ring) or any sort of attributed graph data > structure? > Oh, that takes me back... yes, I think I wrote an RDF exporter for the CDK at some point. But I do need to digging up, because I don't immediately see it in the list [0]. Egon 0. https://egonw.github.io/cdkbook/appfileformats.html#the-readers-and-writers -- 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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