Hello everybody: I am working on a script which removes the cores based on a given pattern and I am wondering how I can accomplish that if two matches are present in the parent molecule two outputs are generated with each matching pattern deleted once.
ReplaceSubstructs seems to have an option like this: replaceAll=False I tried to use replaceSubstructs but using H as smiles string for replacement threw me an error. C worked. I have attached a notebook for you to better understand what I mean. Any suggestion you might have would be highly appreciated. Cheerio, Markus
test.ipynb
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