Hej Nina,

On Wed, Mar 31, 2010 at 12:27 PM, Nina Jeliazkova <nina at acad.bg> wrote:
> Egon Willighagen wrote:
>> is it possible to run an OpenTox /algorithm directly on an SD or mol
>> file? Or should that always be uploaded as data set first?
>>
> The dataset should have an URI, so it should be uploaded, or the dataset
> constructed from existing compounds/features at a certain dataset service.
>
> In principle,one can run a simple dataset service on his own desktop -
> just exposing SDF file(s) via the opentox API.

That is an interesting idea!

BTW, you were working on a Java library for the OpenTox API, right?
Right now I'm using some custom code with the RDF interface, running
SPARQL locally to extract the information I need... but using a
library would be much easier... anything I can convert into an Eclipse
bundle?

Egon

-- 
Post-doc @ Uppsala University
Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
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