The current research status and prospects of AI in chemical science

被引:0
|
作者
Yuan, Minghao [1 ]
Guo, Qinglang [2 ]
Wang, Yingxue [2 ]
机构
[1] Beihang Univ, Beijing 100083, Peoples R China
[2] CETC Acad Elect &Informat Technol Grp Co Ltd, China Acad Elect & Informat Technol, Beijing 100041, Peoples R China
关键词
AI; Chemistry; AI for chemistry science; Machine learning; Deep learning; ARTIFICIAL-INTELLIGENCE; FAULT-DIAGNOSIS; NEURAL-NETWORKS; MACHINE; PREDICTION; CHEMISTRY; DESIGN; REPRESENTATION; OUTCOMES;
D O I
10.1016/j.pnsc.2024.08.003
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
This paper primarily examines the utilization and obstacles of AI in the domain of chemistry. Machine learning facilitates the advancement of chemical research at every level through the use of AI. AI has significantly contributed to enhancing the efficiency of chemical experiments and manufacturing, as well as reducing costs, throughout the many phases of chemical study, application, and production. Its impact is particularly notable in the development of new materials and the discovery of drugs. Nevertheless, the implementation of AI in the domain of chemistry encounters numerous obstacles, including inadequate data quality, limited model interpretability, and data privacy concerns. To address these issues, it is imperative for the scientific and technological community to foster multidisciplinary collaboration, develop a more comprehensive and practical AI framework, and investigate more secure data security technologies. In the future, as AI continues to advance, the relationship between AI and chemical research will become more dependable and intimate. This will lead to increased efficiency, safety, and cost-effectiveness in chemical research, ushering in a new era in the field of chemistry.
引用
收藏
页码:859 / 872
页数:14
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