The Rise of Catalyst Informatics: Towards Catalyst Genomics
The Rise of Catalyst Informatics: Towards Catalyst Genomics
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DOI：
10.1002/cctc.201801956
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发表时间：
2019-02-20
期刊：
影响因子：
4.5
通讯作者：
Taniike, Toshiaki
中科院分区：
文献类型：
--
作者：
Takahashi, Keisuke;Takahashi, Lauren;Taniike, Toshiaki
由于催化剂信息学的兴起，催化研究即将经历关于催化剂如何设计和表征的范式转变。回顾了催化剂信息学的细节，提出了以下三个关键概念：催化剂数据、通过数据科学从催化剂数据到催化剂设计以及催化剂平台。此外，还探讨和介绍了催化剂信息学领域的进展和机遇。如果催化剂信息学领域以适当的方式发展，催化剂设计所采用的方法和途径将从根本上改变，从而导致催化研究取得巨大进步。
Catalysis research is on the verge of experiencing a paradigm shift regarding how catalysts are designed and characterized due to the rise of catalyst informatics. The details of catalyst informatics are reviewed where the following three key concepts are proposed: catalyst data, catalyst data to catalyst design via data science, and catalyst platform. Additionally, progress and opportunities within catalyst informatics are explored and introduced. If the field of catalyst informatics grows in the appropriate manner, the methods and approaches taken for catalyst design would be fundamentally altered, leading towards great advancement within catalysis research.