- From: Egon Willighagen <egon.willighagen@gmail.com>
- Date: Sun, 22 Mar 2009 10:50:17 +0100
- To: Peter Ansell <ansell.peter@gmail.com>
- Cc: bio2rdf@googlegroups.com, w3c semweb hcls <public-semweb-lifesci@w3.org>, "public-lod@w3.org" <public-lod@w3.org>, Paul Roe <p.roe@qut.edu.au>, James Hogan <j.hogan@qut.edu.au>, Lawrence Buckingham <l.buckingham@qut.edu.au>
Hi Peter, On Sun, Mar 22, 2009 at 1:42 AM, Peter Ansell <ansell.peter@gmail.com> wrote: > owl:sameAs fits well for that purpose. > >> http://rdf.openmolecules.net/?InChI=1/C12H8O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,13-14H >> >> Linking back to rdf.openmolecules.net can be done as shown above with the InChI. > > Okay. Will look into doing owl:sameAs links back either dynamically or > by modifying the way ChEBI is converted to RDF. Thanx. > Do you also provide InChIKey resolution? No. That requires look up, so only works against an existing database. Chemspider is doing this, but is not a general solution. InChIKey's are not unique, though clashes rare, and not observed so far. > [1] It is just that InChI's > can get pretty long for complex molecules and it makes it harder for > people to accurately copy and paste them around when needed. Indeed. However, InChIKey is less precise. RDF allowing us to be do things in an exact manner, I rather use InChI. > InChiKey's might be better for general use in RDF because they have a > guaranteed identifier length and therefore won't become cumbersome for > complex molecules. But can never be used for owl:sameAs like relations. > Currently all of the InChI's that I have seen have been as Literals, > but it would be relatively easy to also provide them as URI's to > provide the link since you have a resolver for them set up. That was precisely the reason why I started the service. Egon -- Post-doc @ Uppsala University http://chem-bla-ics.blogspot.com/
Received on Sunday, 22 March 2009 09:50:53 UTC