[OTDev] R interface for OpenTox services
Egon Willighagen egon.willighagen at gmail.comFri Oct 29 13:35:54 CEST 2010
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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... 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
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