Re: [Cdk-user] IUPAC name generation

The code in legacy was an academic project, but has limited functionality. There are nowadays a few open source tools that can predict the IUPAC name. By using OPSIN you can check if that prediction makes sense: OPSIN generated a chemical structure from the IUPAC name and if that is the same as

[Cdk-user] IUPAC name generation

Hi, Has anyone successfully generated IUPAC names from a smiles string? I see some code in the legacy module, but did not see a way to do it. Also, any suggestions for doing this with some other open source software? Thanks, Yong CONFIDENTIALITY NOTICE: This electronic mail transmission