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Bemis-Murcko Frameworks. (a) Number of Bemis-Murcko frameworks unique to the Public Compound Collection (PCC) and overlapping with the Maybridge, Molecular Library Program (MLP) and ChEMBL compound sets. (b) Representative selection of ...
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Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization | Journal of Chemical Information and Modeling
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