[open-science] Fwd: Chemistry Data Packages

Thu Apr 15 15:27:26 UTC 2010

On Thu, Apr 15, 2010 at 2:53 AM, Peter Murray-Rust <pm286 at cam.ac.uk> wrote:

>
> * index all molecules with InChI (for chemical identity). Static and easily
> managed through SPARQL
> *
>
 Peter - yes this is what I had in mind
Our solubility data is available as an XML feed - we use the tags
solventSMILES and soluteSMILES but that could be converted automatically to
InChIs.
http://showme.physics.drexel.edu/onsc/Services/OData.svc/Solubilities/

We would like to help out to provide feeds that could be automatically
integrated with the rest of the data.

>
> I suspect that combining forces with Wikipedia should be a god way of
> maximising the facilities and impact.
>
Good idea

Jean-Claude

>
>
>
> --
> Peter Murray-Rust
> Reader in Molecular Informatics
> Unilever Centre, Dep. Of Chemistry
> University of Cambridge
> CB2 1EW, UK
> +44-1223-763069
>

-- 
Jean-Claude Bradley, Ph. D.
E-Learning Coordinator for the College of Arts and Sciences
Associate Professor of Chemistry
Drexel University

http://usefulchem.blogspot.com
http://drexel-coas-elearning.blogspot.com
http://drexel-coas-talks-mp3-podcast.blogspot.com/
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-- 
Jean-Claude Bradley, Ph. D.
E-Learning Coordinator for the College of Arts and Sciences
Associate Professor of Chemistry
Drexel University

http://usefulchem.blogspot.com
http://drexel-coas-elearning.blogspot.com
http://drexel-coas-talks-mp3-podcast.blogspot.com/
http://friendfeed.com/jcbradley
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