工业均相催化系统发展中机器学习方法的现状展望

IF 0.9 Q4 CHEMISTRY, PHYSICAL
José Ferraz-Caetano
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引用次数: 1

摘要

这个简短的观点概述了机器学习方法在工业化学绿色数字化转型中的关键作用。对均相催化的关注突出了工业过程发展中的最新方法,包括设计新的催化剂和提高可持续反应条件以降低生产成本。我们通过工业均质有机催化系统创新的最新数据科学趋势报告了机器学习辅助方法的几个例子。我们还强调了当前大规模实施这些数据科学方法的好处、缺点和限制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Current Outlooks on Machine Learning Methods for the Development of Industrial Homogeneous Catalytic Systems
This brief perspective outlines the pivotal role of Machine Learning methods in the green, digital transition of industrial chemistry. The focus on homogenous catalysis highlights the recent methodologies in the development of industrial processes, including the design of new catalysts and the enhancement of sustainable reaction conditions to lower production costs. We report several examples of Machine Learning assisted methodologies through recent Data Science trends on innovation of industrial homogeneous organocatalytic systems. We also stress the current benefits, drawbacks, and limitations towards the mass implementation of these Data Science methodologies.
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来源期刊
Current Organocatalysis
Current Organocatalysis CHEMISTRY, PHYSICAL-
CiteScore
2.00
自引率
0.00%
发文量
28
期刊介绍: Current Organocatalysis is an international peer-reviewed journal that publishes significant research in all areas of organocatalysis. The journal covers organo homogeneous/heterogeneous catalysis, innovative mechanistic studies and kinetics of organocatalytic processes focusing on practical, theoretical and computational aspects. It also includes potential applications of organocatalysts in the fields of drug discovery, synthesis of novel molecules, synthetic method development, green chemistry and chemoenzymatic reactions. This journal also accepts papers on methods, reagents, and mechanism of a synthetic process and technology pertaining to chemistry. Moreover, this journal features full-length/mini review articles within organocatalysis and synthetic chemistry. It is the premier source of organocatalysis and synthetic methods related information for chemists, biologists and engineers pursuing research in industry and academia.
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