[OTDev] running Algorithm directly on a SD file?
Egon Willighagen egon.willighagen at gmail.comThu Apr 1 16:22:17 CEST 2010
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On Wed, Mar 31, 2010 at 12:27 PM, Nina Jeliazkova <nina at acad.bg> 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. Must the URI point to an OpenTox API service? Or would a URI to just a SD file work too? Like http://example.org/someFile.sdf ? Egon -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers
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