Substructure search with SMARTS query against ChEMBLDB #rdkit #razi #pychembldb

Recently I often use razi for making structure search because it is very easy to integrate many workflow written in python. Today I would like to show how to perform substructure search with SMARTS query in ChEMBL. Because I’m modifying pychembldb to integrate razi for enabling structure search in pychembldb. To perform substructure seach withContinue reading “Substructure search with SMARTS query against ChEMBLDB #rdkit #razi #pychembldb”

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