[OTDev] R interface for OpenTox services

Om ompandey at gmail.com
Fri Oct 29 14:26:10 CEST 2010


On Fri, Oct 29, 2010 at 5:24 PM, Nina Jeliazkova
<jeliazkova.nina at gmail.com>wrote:

> On 29 October 2010 14:35, Egon Willighagen <egon.willighagen at gmail.com
> >wrote:
>
> > On Fri, Oct 29, 2010 at 1:33 PM, Nina Jeliazkova
> > <jeliazkova.nina at gmail.com> wrote:
> > > On 29 October 2010 14:00, Christoph Helma <helma at in-silico.ch> wrote:
> > >> I have talked at the final Sensitiv meeting with a Bioinformatician
> who
> > >> would be interested in using OpenTox services from R. I am sure that
> > >> this is possible, but it would require some efforts to map R's
> > >> datastructures (data frames, ...) to OpenTox datasets. Unfortunatly I
> > >> cannot devote much time to this - are there any volunteers?
> > >
> > > We were just discussing similar idea this week. We've started quite
> > recently
> > > to explore R . Data frames seem to have similar table (row/columns)
> > > structure to OpenTox datasets, and it is possible to call Java code
> from
> > R,
> > > so it should be feasible to have OpenTox client written in Java and
> call
> > it
> > > from R.
> >
> > Chemistry handling can be done with Rajarshi's rcdk...
> >
> >
> Yes.
>
> I was actually thinking of a simple client to call services and chemistry
> is
> mostly done internally by the services.  BTW, is there anything like "curl"
> one can call from R ?
>

There is package called RCurl. http://www.omegahat.org/RCurl/

Thanks
om

>
> Nina
>
>
> > Egon
> >
> >
> > --
> > Dr E.L. Willighagen
> > Postdoctoral Research Associate
> > University of Cambridge
> > 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
> > _______________________________________________
> > Development mailing list
> > Development at opentox.org
> > http://www.opentox.org/mailman/listinfo/development
> >
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