[OTDev] how to get compound URIs for the compounds I add to a dataset?

Egon Willighagen egon.willighagen at gmail.com
Fri Oct 29 13:49:23 CEST 2010


Hi all,

I was just wondering on how to do something... when I add a molecule
to a data set, I would like to know the matching URI... is there a way
to achieve this? A POST to /dataset returns me the data set URI...

Is there an implicit assumption that molecules are numbered according
to in what order they are added... but that would only work if added
as SDF...

I almost feel myself needing to put one molecule in one data set, but
there has to be a better way... right?

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/
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