Machine Learning in Unmanned Systems for Chemical Synthesis

被引:2
|
作者
Wang, Guoqiang [1 ]
Wu, Xuefei [2 ]
Xin, Bo [2 ]
Gu, Xu [1 ]
Wang, Gaobo [1 ]
Zhang, Yong [1 ]
Zhao, Jiabao [2 ]
Cheng, Xu [1 ,3 ]
Chen, Chunlin [2 ]
Ma, Jing [1 ,3 ]
机构
[1] Nanjing Univ, Sch Chem & Chem Engn, Key Lab Mesoscop Chem MOE, Nanjing 210023, Peoples R China
[2] Nanjing Univ, Sch Management & Engn, Dept Control Sci & Intelligent Engn, Nanjing 210093, Peoples R China
[3] Nanjing Univ, Sch Chem & Chem Engn, Jiangsu Key Lab Adv Organ Mat, Nanjing 210023, Peoples R China
来源
MOLECULES | 2023年 / 28卷 / 05期
基金
中国国家自然科学基金;
关键词
automatic chemical systems; machine learning; coordinated multi-robot systems; virtual screening; DEEP NEURAL-NETWORKS; SERVO CONTROL; REINFORCEMENT; ROBOT; OPTIMIZATION; PERFORMANCE; COMPUTER; PARALLEL; SEARCH; SIGNAL;
D O I
10.3390/molecules28052232
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Chemical synthesis is state-of-the-art, and, therefore, it is generally based on chemical intuition or experience of researchers. The upgraded paradigm that incorporates automation technology and machine learning (ML) algorithms has recently been merged into almost every subdiscipline of chemical science, from material discovery to catalyst/reaction design to synthetic route planning, which often takes the form of unmanned systems. The ML algorithms and their application scenarios in unmanned systems for chemical synthesis were presented. The prospects for strengthening the connection between reaction pathway exploration and the existing automatic reaction platform and solutions for improving autonomation through information extraction, robots, computer vision, and intelligent scheduling were proposed.
引用
收藏
页数:21
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