Create MMPDB ( matched molecular pair )!

Matched molecular pair analysis is very common method to analyze SAR for medicinal chemists. There are lots of publications about it and applications in these area. I often use rdkit/Contrib/mmpa to make my own MMP dataset. The origin of the algorithm is described in following URL. https://www.ncbi.nlm.nih.gov/pubmed/20121045 Yesterday, good news announced by @RDKit_org. It isContinue reading “Create MMPDB ( matched molecular pair )!”

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