Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints
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DOI: 10.1021/acs.jcim.0c00483
Abstract: Prediction of whether a compound is 'aromatic' is at first glance a relatively simple task - does it obey Hückel's rule (planar cyclic π-system with 4n+2 electrons) or not? However, aromaticity is far from a… read more here.
Keywords: learning predicts; predicts degree; machine learning; degree aromaticity ... See more keywords