[OTDev] running Algorithm directly on a SD file?
Nina Jeliazkova nina at acad.bgWed Mar 31 12:43:04 CEST 2010
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Egon Willighagen wrote: > 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! > Not really a new one :) just running a http server at your own machine. > BTW, you were working on a Java library for the OpenTox API, right? > Right, the idea was to provide some code for partners from CADASTER project, it is in a pretty initial phase. https://ambit.svn.sourceforge.net/svnroot/ambit/branches/opentox/opentox-client Regards, Nina > 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 > >
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