Create matched molecular series with RDKit.

New version of rdkit implemented new function about MMP named rdMMPA. The class has FragmentMol function that returns fragments for MMP. The function can set max number of Cut, and also can set cutting rules. That’s means rdkit provide flexibility to chemo-informatician. Now I’m trying to develop web app about mmpa and mmps. So, IContinue reading “Create matched molecular series with RDKit.”