Fast substructure search module of RDKit #rdkit #memo

Recently I posted an example of substructure search with razi, rdkit postgres cartridge. It works well but sometime I would like to conduct SSS faster. And I could get useful information from Greg, yamasakit. rdSubstructLibrary module can perform fast substructure search! The details are described in rdkit official blog post. https://rdkit.blogspot.com/2018/02/introducing-substructlibrary.html I never tried toContinue reading “Fast substructure search module of RDKit #rdkit #memo”

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