Molecule fragmentation based on a reference fragment

Hi all,

I’m going to split bunch of molecules based on a reference fragment. I’m wondering if anyone of you guys know how it can be done with RDKit or any other module?

Thanks

Hi Naraj,
Splitting molecules might have several options, therefore I am not sure I fully understand your use case. RDKit or ChemAxon has a node called R-Group decomposition. Is it what you were looking for?

An example workflow - that does much more, therefore you should be looking at the “II Perform R-Group Decomposition” part - might be found here: 02a_R-Group_Decomposition Bonus material – KNIME Hub

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