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From: Igor F. <igo...@gm...> - 2017-09-08 13:35:16
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Ricardo, InChI key is a hash, it cannot be converted back to structure. The only thing possible is a database lookup. There are some available online - https://cactus.nci.nih.gov/chemical/structure Igor On Tue, Sep 5, 2017 at 6:46 AM, RicardoMBorges via OpenBabel-discuss < ope...@li...> wrote: > I'm trying to convert a list of InChiKEY to SMILE but OpenBabel GUI doesn't > have InChiKEY as input format. > > What should I do? > > Thanks > > > > -- > Sent from: http://forums.openbabel.org/General-discussion-f3090658.html > > ------------------------------------------------------------ > ------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > _______________________________________________ > OpenBabel-discuss mailing list > Ope...@li... > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > |