Transformer Performance for Chemical Reactions: Analysis of Different Predictive and Evaluation Scenarios
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DOI: 10.1021/acs.jcim.2c01407
Abstract: The prediction of chemical reaction pathways has been accelerated by the development of novel machine learning architectures based on the deep learning paradigm. In this context, deep neural networks initially designed for language translation have… read more here.
Keywords: evaluation; performance chemical; chemical; transformer performance ... See more keywords