Re: use of RDF in chemistry

[Egon Willighagen]

moved to: acsrd...@googlegroups.com

Dear Kingsley, all,

On Thu, Sep 9, 2010 at 3:38 PM, Kingsley Idehen <kid...@openlinksw.com> wrote:
>> Several slide sets have are now available online [0].
>>
>> 0.http://egonw.github.com/acsrdf2010/
>
> Do we have a Linked Open Chemistry Data Space (LOCD) or Data Dumps
> collection URL anywhere?

Good question. For my own two data sets, this had been on my todo list
for much too long now...

To all, do you have a download URL where some/anyone can download the
RDF data as one big download? If so, please let us know about license
and/or copyrights...

Kingsley, I assume you are thinking about hosting all that data? I
think such a list is indeed very welcome... I'll hurry with making 'my
RDF data' available as such... this includes:

NMRShiftDB (GNU FDL)
ChemPedia Substances (CC0)
ChEMBL 02 (CC-Something)
ONS-Solubility (CC0)

all this data is primarily linked via the InChI and
http://rdf.openmolecules.net/.

Egon

Egon

--
Dr E.L. Willighagen
Post-doc @ Uppsala University (only until 2010-09-30)
Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers

[Nina Jeliazkova]

We are trying in OpenTox (http://opentox.org)  to expose all data as RDF (via web service), using quite simple ontology and linking to other ontologies. 

Especially toxicology is a domain that lacks consistent ontologies.

Right now playing with so much hyped malaria HTS data - it's one of the worst examples of un-linked un-standard data I had seen...

Best regards,
Nina Jeliazkova