Re: [Rdkit-discuss] name generator
Open-Source Cheminformatics and Machine Learning
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From: Sergio M. C. <ser...@gm...> - 2013-08-27 15:54:49
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thanks Greg, indeed, I only found commercial software for it http://www.chemaxon.com/marvin/help/applications/molconvert.html cheers Sergio On 27 August 2013 16:45, Greg Landrum <gre...@gm...> wrote: > Dear Sergio, > > > On Tue, Aug 27, 2013 at 5:21 PM, Sergio Martinez Cuesta < > ser...@gm...> wrote: > >> is there any IUPAC name generator in RDKit? >> >> e.g. for transforming "CC(C)O" into "propan-2-ol" ? >> >> > There is not. In fact, I'm not aware of any open source structure->name > converters. > > -greg > > |