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RE: RDF for molecules, using InChI

From: Eric Neumann <eneumann@teranode.com>
Date: Thu, 2 Aug 2007 14:09:15 -0400
Message-ID: <E7092F10DB73FA43AE0E59F2DCDAA6360A9190@MI8NYCMAIL04.Mi8.com>
To: "Egon Willighagen" <egon.willighagen@gmail.com>, public-semweb-lifesci@w3.org

Egon,

I commend you on two fronts: 1) developing a chem data model that utilizes InChi as part of the URI, and 2) demonstrating how something as simle as an XSLT can be used to organize viewable html ( I also see your OpenMolecules page supports the use of RDFa-- great job!).

We've discussed a little bit on trying to promote the development of Chemical URIs, possibly using InChi. We've heard others have been proposing to do this as well. Is the OpenMolecules program connected to work at U of Southampton on chemical identifiers? 

I think it would be great if most of the chem and life sci community could agree on a single chemical URI model that is open and annotatable! Are you hoping to see this happen as well?

cheers,
Eric

-----Original Message-----
From: public-semweb-lifesci-request@w3.org on behalf of Egon Willighagen
Sent: Thu 8/2/2007 7:39 AM
To: public-semweb-lifesci@w3.org
Subject: RDF for molecules, using InChI
 

Hi all,

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). The methane example
mentioned shows some information extracted from Chemical blogspace
[2], but I plan to write other plugins too, e.g. for PubChem,
ChemSpider and other databases.

I have written up some thoughs at [3], and would much like to hear
your opinions and comments.

Looking forward to hearing from you,

kind regards,

Egon Willighagen
http://chem-bla-ics.blogspot.com/

*) FireFox 2.0.0.6 and IE pick up the declared stylesheet, but
Konqueror/Linux does not.

1.http://cb.openmolecules.net/rdf/?InChI=1/CH4/h1H4
2.http://cb.openmolecules.net/
3.http://chem-bla-ics.blogspot.com/2007/07/rdf-ing-molecular-space.html
Received on Thursday, 2 August 2007 18:10:20 GMT

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