Trivalent phosphine catalysis is mostly utilized to activate the carbon-carbon multiple bonds to form carbanion intermediate species and is highly sensitive to certain variables. Random manual multi-variables are critical for understanding the batch disabled regeneration of trivalent phosphine chemistry. We need the artificial intelligence-based system which can change the variable based on previously conducted failed experiment.
View Article and Find Full Text PDFOptimizing a wide range of reaction parameters, steps, and pathways is currently considered one of the most complex and challenging problems in microflow-based organic synthesis. As a novel solution, Bayesian optimization (BO) has been utilized to efficiently guide the optimized conditions of flow reactors; however, the benchmarking process for selecting the optimal model among various surrogate models remains inefficient. In this work, we report meta optimization (MO) by benchmarking multiple surrogate models in real-time without any pre-work, which is realized by evaluating the expected values obtained by the regressor used to build each surrogate model, enabling efficient optimization of reaction conditions.
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