[OTDev] RDF as a common exchange format for OpenTox ?

Egon Willighagen egon.willighagen at gmail.com
Fri Oct 2 09:34:35 CEST 2009


On Fri, Oct 2, 2009 at 9:24 AM, Nina Jeliazkova <nina at acad.bg> wrote:
> Egon Willighagen <egon.willighagen at gmail.com> wrote:
>> I can strongly second this suggestion, and help/advise here in these
>> matters if you like. Last week I have become official Invited Expert
>> to the W3 Health Care and Life Sciences (HCLS) Interest Group, and
>> working on RDF in relation to cheminformatics (in the CDK and
>> Bioclipse, mostly).
>>
> Congratulations! It will be really good if you could help us with some
> pointers to start with?

And perhaps collaborate on some things?

BTW, the QSAR descriptor ontology is already in OWL.

> OpenTox would be interested in RDF for
>
> 1) Chemical compounds
> 2) Properties of chemical compounds (any kind of; existing ontologies )
> 3) Sets of chemical compounds
> 4) Sets of chemical compounds + properties
> 5) Models
> 6) Algorithms (machine learning algorithms as a start)
> 7) Model validation

Yes, what not :)

Check my blog for what I have been doing sofar:

http://chem-bla-ics.blogspot.com/search?q=rdf

> I am pretty sure there is lot of work already done 1) and 2) (e.g. RDF name
> space for InChI exists).
>
>> > From technical point of view, RDF/XML can be considered just a XML with
>> > specific name spaces.  It seems there are plenty of libraries for
> different
>> > languages and frameworks.
>>
>> RDF/XML is only one serialization; others exist too, like N3, but even JSON.
>
> Yes, I pointed to XML serialization, because it might be perceived as a
> shorter step from current custom XML schemas. I didn't knew about JSON
> serialization (many things to learn these days).

Yes, XSLT is rather suitable for that. I can also strongly recommend
looking at RDFa, though I am not sure Plone has RDFa support yet.

>> > Last but not least RDF offers a way to denote multiple URI point to the
>> > same object ;)
>>
>> I assume your refer to owl:sameAs ?
>
> Yes, we had the issue of non-unique URIs discussed several times.

Yes, OWL is very suited to make such statements.

Egon

-- 
Post-doc @ Uppsala University
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers



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