The idea is to create a mechanism that would allow Crossref publishers to record InChIs in their submitted Crossref metadata. This, in turn, would allow us to provide a service that would allow users to:
- Lookup the published articles that mention a particular InChI.
- Lookup the InChIs mentioned in a published article.
Similar services could, conceivably, be provided for other types of semantic metadata.
The following is a demonstrator of what an DOI2InChI lookup service might look like. Please note that the XML representation of the results is very basic and is not best-practice for linked-data.
The demonstrator currently only holds DOIs and InChIs for a few publishers. A summary of the contents of the database can be found on the status page
http://inchi.crossref.org/status
A list of all the Crossref DOIs that contain InChIs can be seen here:
http://inchi.crossref.org/dois
A list of all the InChIs that have been registered with Crossref can be seen here:
http://inchi.crossref.org/inchis
The system provides the following API calls:
Return all the DOIs that have been registered with a given InChI
http://inchi.crossref.org/dois/InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
Return all the InChIs that have been registered for a given DOI
http://inchi.crossref.org/inchis/10.1038/nchem.215