NMRShiftDB RDF #3: Bio2RDF
My might have seen my efforts to convert the NMRShiftDB data into RDF:
- NMRShiftDB RDF #2: Some statistics
- NMRShiftDB RDF #1: Spectra by InChI
- NMRShiftDB enters rdf.openmolecules.net #2: SPARQL end point with Virtuoso
Peter Ansell has shortly after that copied the data into Bio2RDF, but I had not blogged about that yet. So, here goes. If you have not looked at Bio2RDF yet, this is a good time to do that. The structure of the exposed triples is not perfect, and I just realized I made a beginners mistake, to use a domain name in a namespace I have not control over (bad me). The Virtuoso6 faceted browser allows you to navigate the data in Bio2RDF by molecule (e.g. molecule 234):

And by spectrum too (e.g. spectrum 4735):

Additional details
Description
My might have seen my efforts to convert the NMRShiftDB data into RDF:
Identifiers
- GUID
- https://doi.org/10.59350/rnjv0-tj350
- URL
- https://chem-bla-ics.linkedchemistry.info/2009/10/09/nmrshiftdb-rdf-3-bio2rdf.html
Dates
- Issued
-
2009-10-09T00:00:00Z
- Updated
-
2026-05-05T00:00:00Z