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Channel: How to do SMARTS reaction substructure mapping with RDKit - Matter Modeling Stack Exchange
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Answer by Vandan Revanur for How to do SMARTS reaction substructure mapping...

I changed the c_h_template to also use smiles and the substructMatch returns True.I am using rdkit version number: 2022.9.4Here is the full reproducible code.from rdkit.Chem import AllChemfrom...

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How to do SMARTS reaction substructure mapping with RDKit

I have been trying to use the RDKit's reaction substructure matching for some time. I want to match all reactions where a C-H bond is being broken to form a new C-C bond.This is my code:from rdkit.Chem...

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