Re: [Rdkit-discuss] name generator
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2013-08-27 15:45:57
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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 |