Re: [Rdkit-discuss] Markush Enumeration.

[Paolo T. <pao...@gm...>]

Hi Jitender,

you could do that quite easily using reaction SMARTS; see for example 
this thread:

https://sourceforge.net/p/rdkit/mailman/message/35730514/

You could selectively replace a specific R attachment point by 
isotopically labeling it.

Cheers,
p.

On 21/02/2020 09:55, Jitender Verma wrote:
> Dear RDkit users,
>
> I have a Markush structure with attachment points as R1, R2, and so 
> on. How can I use RDkit to enumerate all the structures using specific 
> R-groups from a database or library I have?
>
> I am a new user of RDkit.
>
> Thanks in anticipation
>
>
>
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