Elsevier

Tetrahedron Chem

Volume 1, March 2022, 100012
Tetrahedron Chem

Perspective
Working at the interfaces of data science and synthetic electrochemistry

https://doi.org/10.1016/j.tchem.2022.100012Get rights and content
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Abstract

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.

Keywords

Electrochemistry
Electrocatalysis
Data science
Machine learning
Design of experiments
High-throughput experimentation

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1

These authors contributed equally.