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RE: RDF for molecules, using InChI

From: Eric Neumann <eneumann@teranode.com>
Date: Fri, 17 Aug 2007 13:54:11 -0400
Message-ID: <E7092F10DB73FA43AE0E59F2DCDAA6360A91E5@MI8NYCMAIL04.Mi8.com>
To: "Egon Willighagen" <egon.willighagen@gmail.com>, public-semweb-lifesci@w3.org
Egon,

Thanks for the pointer-- is there a list of all the molecules you store something about? I've noticed your server will handle any InchI string it receives, though CIDs and other annotations will not be returned. Since one can determine the molecular weight from InchI, would it make sense to include such a feature? 

Finally, I see you point to Pubchem CIDs and Pubchem uses InchIs as well, so is there any way to include all compounds PC refers to as well?

cheers,
Eric


-----Original Message-----
From: public-semweb-lifesci-request@w3.org on behalf of Egon Willighagen
Sent: Fri 8/17/2007 10:15 AM
To: public-semweb-lifesci@w3.org
Subject: Re: RDF for molecules, using InChI
 

Hi all,

On 8/2/07, Egon Willighagen <egon.willighagen@gmail.com> wrote:
> 1.http://cb.openmolecules.net/rdf/?InChI=1/CH4/h1H4

a quick update, rdf.openmolecules.net is now online, so the above URL becomes:

http://rdf.openmolecules.net/?InChI=1/CH4/h1H4

Egon

----
http://chem-bla-ics.blogspot.com/
Received on Friday, 17 August 2007 17:54:02 GMT

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