Bayesian optimization with constraint on passed charge for multiparameter screening of electrochemical reductive carboxylation in a flow microreactor

Multiparameter screening of reductive carboxylation in an electrochemical flow microreactor was performed using a Bayesian optimization (BO) strategy. The developed algorithm features a constraint on passed charge for the electrochemical reaction, which led to suitable conditions being instantaneously found for the desired reaction. Analysis of the BO-suggested conditions underscored the physicochemical validity.

Automated summary

This study performed multiparameter screening of reductive carboxylation in an electrochemical flow microreactor using a Bayesian optimization strategy. The developed algorithm constrained the passed charge for the electrochemical reaction, leading to the instantaneous discovery of suitable conditions for the desired reaction. Analysis of the suggested conditions by the Bayesian optimization underscored their physicochemical validity.