Substructure filters for hit triaging #Chemoinformatics #RDKit

Posted byiwatobipenPosted indiaryTags:,

This is a second post with jupyter notebook based blog post ;)

A simple example of molecular filter which is reported from NIBR! My example code is below.

https://iwatobipen.github.io/is_life_worth_living-/jupyter/2021/11/19/NIBR_SF.html

Published by iwatobipen

I'm medicinal chemist in mid size of pharmaceutical company. I love chemoinfo, cording, organic synthesis, my family.

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