Prediction of the chemical context for Buchwald-Hartwig coupling reactions.
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DOI: 10.1002/minf.202100294
Abstract: We present machine learning models for predicting the chemical context for Buchwald-Hartwig coupling reactions, i.e., what chemicals to add to the reactants to give a productive reaction. Using reaction data from in-house electronic lab notebooks,… read more here.
Keywords: context; chemical context; context buchwald; hartwig coupling ... See more keywords