Hi Nina, All,

I require to upload a new compound within a dataset (with features +
feature values). Lets say only the SMILE is known (as in the case of a
user input). In that case how do we represent the compound in the RDF
for upload to the ambit dataset service ? Since I do not have the URI
in advance I am creating a new compound like so :

Individual newcompound =
resultDataset.createIndividual(OT.OTClass.Compound.getOntClass(resultDataset));

The Question is how do I supply the SMILE representation after this.
Do I have to define a certain "feature" which denotes the SMILE
representation of the compound. If so what is the URI of this
"feature" ?

P.S. The other option I guess would be to run a local instance of a
compound service and supply the URI in the dataset ...

Regards
Surajit