Making better decisions during synthetic route design: leveraging prediction to achieve greenness-by-design

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Incorporating machine-learned ligand prediction into predictive route comparisons provides a conceptual framework that enables greener chemistry outcomes in synthetic route design. Novelty: ClaimNovelty.METHODOLOGICAL. Consensus alignment: ConsensusAlignment.NEUTRAL.

Jun Li; Martin D. Eastgate

doi:10.1039/c9re00019d

January 1, 2019Reaction Chemistry & Engineering

Making better decisions during synthetic route design: leveraging prediction to achieve greenness-by-design

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Abstract

A conceptual framework for incorporating machine learned ligand prediction into predictive route comparisons, to enable greener chemistry outcomes.

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Li et al. (2019) studied this question.

synapsesocial.com/papers/6a09c19f4db79685905184dc https://doi.org/10.1039/c9re00019d

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Making better decisions during synthetic route design: leveraging prediction to achieve greenness-by-design

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Making better decisions during synthetic route design: leveraging prediction to achieve greenness-by-design

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