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Re: RDF for molecules, using InChI

From: Egon Willighagen <egon.willighagen@gmail.com>
Date: Thu, 20 Sep 2007 00:05:12 +0200
Message-ID: <6aeb064b0709191505k510ba64cteff0ec9efe06d9b7@mail.gmail.com>
To: public-semweb-lifesci@w3.org

Hi all,

I have not applied all suggestions sent my people on the list, but
wanted to give a short update. So, no RDF document pointing to all
molecules with non-trivial RDF statements, and no RDF-based
definitions of the properties used. Apologies for that.

On 8/2/07, Egon Willighagen <egon.willighagen@gmail.com> wrote:
> I played a bit with RDF for molecular data a bit this week, and now
> have a RDF provider service (try methane [1]), which is written in
> PHP, uses XSLT to create a HTML frontend (*). It works for any
> molecule/InChI, but depends on 'plugins' to set up any other than the
> implied properties (i.e. reproduce the InChI).

I have added a new module that extracts 'tags' for molecules [1], and
am quite happy with the setup. It is using the rdf.openmolecules.net
URL identifier, which can be added to Connotea and tagged, like any
journal article or website. The website uses the Connotea API to
convert these tags into RDF properties for the InChIs.

In the blog item, I give some applications of the tagging, like
defined sets of molecules etc. SPARQL would be rather suited to
extract such sets from the RDF statements.

Again, comments most welcome.


PS. don't want to stir up the URL-versus-URI discussion. Tagging
molecules has just been on my wish list for some time, and this seems
to work well.


Received on Wednesday, 19 September 2007 22:05:19 UTC

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