Hello All,
Alex in Cambridge, MA, USA here.
I wrote a small library that uses RDKit for what I'm calling 'grafting
reactions'*: https://github.com/adorsk/rdkit_grafting_reaction .
The idea of the library is to define joins on molecular fragments in terms
of grafts. You have a 'rootstock' molecule, which can receive 'scion'
molecules at various locations. The library implements these grafts by
using RDKit's "EditableMolecule" to combine fragments and create bonds
between them.
I wanted to share it here, in case it's useful for anyone else.
-Alex
*Please pardon my chemistry naivety I am primarily a software engineer and
am still unfamiliar with many standard names for chemical reactions.
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