Identifying promising synthesis targets and designing routes to their synthesis is a grand challenge in chemistry and materials science. Recent work employing machine learning in combination with traditional approaches is opening new ways to address this truly Herculean task.
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Schön, J.C. Enhancing synthesis prediction via machine learning. Nat Comput Sci 5, 95–96 (2025). https://doi.org/10.1038/s43588-025-00771-3
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DOI: https://doi.org/10.1038/s43588-025-00771-3
