Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks
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DOI: 10.1021/acs.jcim.1c01065
Abstract: Finding synthesis routes for molecules of interest is essential in the discovery of new drugs and materials. To find such routes, computer-assisted synthesis planning (CASP) methods are employed, which rely on a single-step model of… read more here.
Keywords: hopfield networks; template; reaction; prediction ... See more keywords