作者
Shuo‐Qing Zhang, Li‐Cheng Xu, Shu‐Wen Li, João CA Oliveira, Xin Li, Lutz Ackermann, Xin Hong
发表日期
2023/1/27
期刊
Chemistry–A European Journal
卷号
29
期号
6
页码范围
e202380662
简介
Machine learning applications in chemistry have been booming during the last few years, and data-driven prediction in organic synthesis witnessing a revolution. Targeting the reactions’ performances, the implementation of reaction knowledge has provided a bridge for the promotion of more sophisticated and accurate machine learning. Herein, we highlight recent, representative advances in embedding techniques and model designs with incorporated reaction-related chemical knowledge for synthetic performance predictions. For more information, see the Review by Ackermann and Hong et al.(DOI: 10.1002/chem. 202202834).
学术搜索中的文章
SQ Zhang, LC Xu, SW Li, JCA Oliveira, X Li… - Chemistry–A European Journal, 2023