Comparison of rdChemReactions and EditableMol #RDKit #chemoinformatics

In this year I moved from MedChem team to CompChem team. And now I need to learn SBDD. Today I struggled mol object that has 3D information. I would like to replace hydrogen which attached aromatic carbon to some atoms. I thought it is easy if I use rdChemReactions method. But I found that itContinue reading “Comparison of rdChemReactions and EditableMol #RDKit #chemoinformatics”

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