Re: [Cdk-devel] [Cdk-user] Indications that generation of canonical SMILES fails under certain conditions

[Egon W. <ego...@gm...>]

On Mon, Oct 3, 2011 at 11:16 AM, Christoph Steinbeck
<ste...@eb...> wrote:
> I think it at least "imperfect performance". Maybe the canonical labeler should fix issues instead just not working properly. I know this is against
> our lego approach.

Or it should throw an exception if required information is missing...

Egon

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Dr E.L. Willighagen
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Institutet för miljömedicin
Karolinska Institutet (http://ki.se/imm)
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