Hello everyone,
is there a possibility to count a fragment (e.g. created witch
murcko-fragmenter) in the molecule?
E.g. i have a 6-Ring and want to know how often he is present in the
fragmented molecule.
If there is no tool, maybe someone can give me a hint how to implement it
by myself? I am very new to CDK so i do not have a lot of experience.
I do not need a complete code, just some information what i can use for it.
I want to try it by myself to learn more about cdk.
Thanks a lot!
Niko
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