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 ?

Nina


> Egon
>
>
> --
> Dr E.L. Willighagen
> Postdoctoral Research Associate
> University of Cambridge
> Homepage: http://egonw.github.com/
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