Scaffold-Hopping from Synthetic Drugs by Holistic Molecular Representation
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DOI: 10.1038/s41598-018-34677-0
Abstract: The discovery of novel ligand chemotypes allows to explore uncharted regions in chemical space, thereby potentially improving synthetic accessibility, potency, and the drug-likeness of molecules. Here, we demonstrate the scaffold-hopping ability of the new Weighted… read more here.
Keywords: regions chemical; drugs holistic; scaffold hopping; chemical space ... See more keywords