[OTDev] running Algorithm directly on a SD file?
Egon Willighagen egon.willighagen at gmail.comWed Mar 31 11:17:26 CEST 2010
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Hi all, 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? 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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