[OTDev] Example of a feature creation request.
surajit ray mr.surajit.ray at gmail.comMon Aug 16 13:41:57 CEST 2010
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Hi Nina, I am trying to upload a generated feature to an Ambit server. Would you have some example class doing this in Java ? My work flow is a) Accept a compound uri and a dataset uri b) Retrieve compound smiles from compound from uri c) Retrieve dataset from uri d) parse dataset representation to get compound URIs e) get the smiles of all dataset compounds f) run some code ... g) upload a feature of this compound to an Ambit location only step g) remains. Therefore it would be great help if you have an example. The API page on opentox on feature does not provide any examples (link : http://opentox.org/dev/apis/api-1.1/Feature) also I have a couple of question about datasets etc 1) Datasets contain listings of conformers of compounds. I am assuming that the conformer uri will produce the same Smile representation as the compound uri itself. Is that correct ? 2) If I have some property like MCSS, I would like to have the same feature for the two compounds being compared. Meaning when compared - Compound A and Compound B should have the same MCSS right ? So I need a feature which belongs to both compounds. Is this possible in the present opentox framework ? Thanks Surajit
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