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Inferring experimental procedures from text-based representations of chemical reactions
2021
Nature Communications
The experimental execution of chemical reactions is a context-dependent and time-consuming process, often solved using the experience collected over multiple decades of laboratory work or searching similar, already executed, experimental protocols. Although data-driven schemes, such as retrosynthetic models, are becoming established technologies in synthetic organic chemistry, the conversion of proposed synthetic routes to experimental procedures remains a burden on the shoulder of domain
doi:10.1038/s41467-021-22951-1
pmid:33958589
pmcid:PMC8102565
fatcat:b6qeyy2eufg2jcbkl6nzhsfvbm