Hi RDKitters,
When using RECAP in RDKit I want to get the smallest set of non-overlapping
fragments using the RECAP rules, so for the example in the docs
CCC(=O)OCCOc1ccccc1, I would expect to get the following [*]C(CC)=O, [*]CCO[*],
[*]OC1=CC=CC=C1.
However this isn't the case as I get the extra fragment [*]CCOc1ccccc1. Does
anyone know how to get the output that I'm after?
Thanks in advance.
Best,
Nick
Nicholas C. Firth | PhD Student | Cancer Therapeutics
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