Hello guys,
one question to the murcko fragmenter.
The fragmenter worked for 15 hours on the following Chembl Compound and did
not find a result. Is this a bug or is it not possible to get the murcko
scaffold out of a compound like this?
I am just fit in the informatics and have not a lot of knowledge for
chemical compounds. I try to find out if there is a bug in the
MurckoFragmenter or if it is necessary to change the fragmenter for my
needs? Or is it just stupid to try fragmentation for a compound like this
and I should put a filter in front of the fragmenter?
Copmound: https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL529226
Thanks for reply.
Best regards
Niko
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