Alvarado Jesus I Martinez, Meinhardt Jonathan M, Lin Song
Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, 14853, United States.
Tetrahedron Chem. 2022 Mar;1. doi: 10.1016/j.tchem.2022.100012. Epub 2022 Mar 26.
Electrochemistry is quickly entering the mainstream of synthetic organic chemistry. The diversity of new transformations enabled by electrochemistry is to a large extent a consequence of the unique features and reaction parameters in electrochemical systems including redox mediators, applied potential, electrode material, and cell construction. While offering chemists new means to control reactivity and selectivity, these additional features also increase the dimensionalities of a reaction system and complicate its optimization. This challenge, however, has spawned increasing adoption of data science tools to aid reaction discovery as well as development of high-throughput screening platforms that facilitate the generation of high quality datasets. In this Perspective, we provide an overview of recent advances in data-science driven electrochemistry with an emphasis on the opportunities and challenges facing this growing subdiscipline.
电化学正迅速进入合成有机化学的主流领域。电化学所实现的新转化的多样性在很大程度上是电化学系统中独特特征和反应参数的结果，这些特征和参数包括氧化还原介质、施加电势、电极材料和电池构造。虽然为化学家提供了控制反应活性和选择性的新方法，但这些额外的特征也增加了反应系统的维度，并使其优化变得复杂。然而，这一挑战促使人们越来越多地采用数据科学工具来辅助反应发现以及开发高通量筛选平台，从而有助于生成高质量的数据集。在这篇综述中，我们概述了数据科学驱动的电化学的最新进展，重点关注这一不断发展的子领域所面临的机遇和挑战。
