Molecular Fragmentation for MMPA

Recently I want to develop new MMP service. In this development process, I want to control number of cuts of molecules. Fortunately, RDKit has good function to do it. So, I checked the function. Following memorandum for my self. Read cdk2.sdf from datadir. Check molecules. OK! Go next. rdMMPA.FragmentMol is function for fragmentation molecules. AndContinue reading “Molecular Fragmentation for MMPA”

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