在单一实体电化学中推进机器学习方法的关键要求

IF 7.9 2区 化学 Q1 CHEMISTRY, PHYSICAL Current Opinion in Electrochemistry Pub Date : 2024-04-26 DOI:10.1016/j.coelec.2024.101526
Viacheslav Shkirskiy, Frédéric Kanoufi
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引用次数: 0

摘要

尽管单实体电化学(Single Entity Electrochemistry,SEE)在过去十年中取得了显著进展,但该领域仍需进一步发展,才能达到必要的成熟度,促进和推动基于机器学习(ML)的发现。本微型综述以 AlphaFold 在生物学领域的成功作为未来发展的基准,分析了该领域所需的发展。第一个基本要求是创建和支持高质量、集中式和开放式的单一实体电化学特性数据库。应通过实验的自动化和标准化,促进高通量输出和数据集之间的比较来推动这项工作。最后,培养新型的跨学科专家,使其能够准确定位 SEE 中的关键问题,并从应用信息学中实施解决方案,这对 ML 方法在 SEE 领域的发展至关重要。
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Key requirements for advancing machine learning approaches in single entity electrochemistry

Despite the noteworthy progress in Single Entity Electrochemistry (SEE) in the last decade, the field still must undergo further advancements to attain the requisite maturity for facilitating and propelling machine learning (ML)-based discoveries. This mini-review presents an analysis of the required developments in the domain, using the success of AlphaFold in biology as a benchmark for future progress. The first essential requirement is the creation and support of high-quality, centralized, and open-access databases on the electrochemical properties of single entities. This should be facilitated through the automation and standardization of experiments, promoting high-throughput output and facilitating comparison between datasets. Finally, the creation of a new type of interdisciplinary specialist, trained to pinpoint critical issues in SEE and implement solutions from applied informatics, is vital for ML approaches to flourish in the SEE field.

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来源期刊
Current Opinion in Electrochemistry
Current Opinion in Electrochemistry Chemistry-Analytical Chemistry
CiteScore
14.00
自引率
5.90%
发文量
272
审稿时长
73 days
期刊介绍: The development of the Current Opinion journals stemmed from the acknowledgment of the growing challenge for specialists to stay abreast of the expanding volume of information within their field. In Current Opinion in Electrochemistry, they help the reader by providing in a systematic manner: 1.The views of experts on current advances in electrochemistry in a clear and readable form. 2.Evaluations of the most interesting papers, annotated by experts, from the great wealth of original publications. In the realm of electrochemistry, the subject is divided into 12 themed sections, with each section undergoing an annual review cycle: • Bioelectrochemistry • Electrocatalysis • Electrochemical Materials and Engineering • Energy Storage: Batteries and Supercapacitors • Energy Transformation • Environmental Electrochemistry • Fundamental & Theoretical Electrochemistry • Innovative Methods in Electrochemistry • Organic & Molecular Electrochemistry • Physical & Nano-Electrochemistry • Sensors & Bio-sensors •
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