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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