MolTaut: A Tool for the Rapid Generation of Favorable Tautomer in Aqueous Solution
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DOI: 10.1021/acs.jcim.2c01393
Abstract: Fast and proper treatment of the tautomeric states for drug-like molecules is critical in computer-aided drug discovery since the major tautomer of a molecule determines its pharmacophore features and physical properties. We present MolTaut, a… read more here.
Keywords: tool; tautomer; rapid generation; moltaut tool ... See more keywords