[OTDev] running Algorithm directly on a SD file?

Nina Jeliazkova nina at acad.bg
Wed Mar 31 12:27:19 CEST 2010


Hi Egon,

Egon Willighagen wrote:
> Hi all,
>
> 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.

Regards,
Nina
> Egon
>
>   




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