[OTDev] Compound API

Christoph Helma helma at in-silico.de
Fri Nov 6 12:08:58 CET 2009


Excerpts from Nina Jeliazkova's message of Fri Nov 06 11:25:14 +0100 2009:
> Dear Christoph, All,
> 
> Christoph Helma wrote:
> > Dear all,
> >
> > I have started to summarize our API discussions in order to finalize
> > version 1.1. I will try to integrate our discussions into the API
> > proposals on the website and inform you as soon as a component is ready.
> > I would like to resolve the last issues as far as possible on the
> > website and on the mailinglist before heading for a final virtual
> > meeting.
> >
> > Lets start with an easy one: 
> > http://opentox.org/dev/apis/api-1.1/structure
> >   
> This should be fine so far, we could add additional mime type for RDF.

What should be the content of the RDF representation - should it
indicate eg. external resources for the compound (using e.g. the
owl:sameAs predicate)?

> Another discussion point is should we add at this place some querying
> functionality, like in IN-SILICO services 
> http://webservices.in-silico.ch/compound/v0/c1ccccc1/match/N ?

I for the next version of our services I have moved substructure
matching (as well as similarity calculations) to the algorithm component
(although they are technically performed within the compound
(substructure matching) and dataset (similarity calculations)
components.

Best regards,
Christoph



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