Dear RDKitters,
I would like to represent what Murcko Scaffolds are extracted from what
molecules.
I had the idea to look into the rdChemReactions module because it shows
a nice arrow between reactants and products.
In my case, I have only 1 reactant and 1 product to display. I played a
bit around:
https://gist.github.com/jose-manuel/8ef38eadbefbfc30e23f166c9e751aba
I would like to display the kekulized molecules instead of the aromatic
form. However, I could not figure out a way to do this using the
rdChemReactions module.
Am I missing something obvious? Does someone have another idea how to
achieve this?
Cheers,
Jose Manuel
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