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@jenskristianmunk-14345
Last seen 6.8 years ago
Hello,
I have ChemmineR and fmcsR telling me what the maximum common substructure between two molecules (MCS) is. Works very well. But how do I get information about what difference(s) have been detected between the molecules? I'm looking for a function similar to "DeleteSubstructs" in the Python package rdkit...
Any ideas are welcome. Thank you in advance.
/Jens