Warnings, Caveats and Weasel Words

Most of the experiments linked to here are running on R&D equipment in a non-production environment. They may disappear without warning and/or perform erratically. If one of them isn’t working for some reason, come back later and try again.

InChI Lookup

 2 minute read.

Note: This experiment has been retired. This description has been kept for reference, but many of the links and/or services that appear below no longer work.

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

Last modified: 2017-02-10.