未来已来--合成化学迈进智能化时代  

New era of artificial chemist

作　　者：张绍东 王璐 付雪峰[1] Shaodong Zhang;Lu Wang;Xuefeng Fu(Beijing 100085,ChinaDepartment of Chemical Sciences,National Natural Science Foundation of China;School of Chemistry and Chemical Engineering,Shanghai Jiao Tong University,Shanghai 200240,China;Institute of Functional Nano&Soft Materials(FUNSOM),Soochow University,Suzhou215123,China)

机构地区：[1]国家自然科学基金委员会化学科学部,北京100085 [2]上海交通大学化学化工学院,上海200240 [3]苏州大学功能纳米与软物质研究院,苏州215123

出　　处：《中国科学：化学》2023年第1期3-8,共6页SCIENTIA SINICA Chimica

摘　　要：近年来,欧美发达国家将人工智能应用于合成化学并取得了一系列重要成果.就我国而言,结合大数据分析、机器学习以及相关智能硬件的集成,开发中国品牌的“AI Chemists”迫在眉睫.本文结合人工智能在合成化学中的不同应用场景,从4个方面介绍现阶段人工智能在合成化学领域面临的挑战,并提出潜在的应对思路.In recent years,artificial intelligence has been successfully applied to synthetic chemistry in Europe and the United States.It is therefore urgent to promote the domestic development of“Artificial Chemist”by combining big data analysis,machine learning,adaptation of robotics,and other hardware so as to achieve autonomous synthesis in China.In this perspective,we briefly discuss the challenges and potential solutions for the development of“Artificial Chemist”from four aspects.

关 键 词：人工智能 合成化学 数据库建立 算法开发 硬件集成 人才培养 

分 类 号：O621.3[理学—有机化学] TP18[理学—化学]