Hi, I vaguely remember that there is/was code in the CDK for atom-to-atom mapping of reactions (wasn't that RDTool?). However, I cannot find that now.
RDTool by Asad uses CDK. But its maintenance seems to be lacking a bit (last pre-release based on CDK 2.5 is back from Mar 2021). Does CDK provide atom-to-atom mapping for reactions at the moment? Are there any open-source tools out there other than RDTool that offer that functionality and use CDK as a library? Any help is appreciated. Uli
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