Computational Bioactivity Fingerprint Similarities To Navigate the Discovery of Novel Scaffolds.
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DOI: 10.1021/acs.jmedchem.1c00234
Abstract: As one of the central tasks of modern medicinal chemistry, scaffold hopping is expected to lead to the discovery of structural novel biological active compounds and broaden the chemical space of known active compounds. Here,… read more here.
Keywords: chemistry; discovery; discovery novel; computational bioactivity ... See more keywords