Chemical reactions can be grouped into classes, but determining what class a specific reaction belongs to is not trivial on a large-scale. A new study demonstrates data-driven automatic classification of chemical reactions with methods borrowed from natural language processing.
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Boström, J. Transformers for future medicinal chemists. Nat Mach Intell 3, 102–103 (2021). https://doi.org/10.1038/s42256-021-00299-x
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DOI: https://doi.org/10.1038/s42256-021-00299-x