Re: [Rdkit-discuss] SMARTS definition for basic nitrogen

[Jan H. J. <jhj...@ch...>]

Hi Axel

Have a look at https://github.com/jensengroup/protonator

Best regards, Jan

On 6 Oct 2022, at 12.09, Axel Pahl <axe...@gm...<mailto:axe...@gm...>> wrote:


Dear RDKitters,

does someone have a good SMARTS definition for basic nitrogen (aliphatic and aromatic), which they would be able to share?

My Google-fu is failing me.

Many thanks in advance.

Kind regards,
Axel

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