大学化学 >> 2025, Vol. 40 >> Issue (9): 34-42.doi: 10.12461/PKU.DXHX202412002

所属专题： AI赋能化学教育

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面向智能时代的化学信息学与人工智能化学理论课程建设

朱伟钢1,2, 王建凤1, 齐强1, 李婧3, 张志成1,2, 于曦1,2   

  1. 1 天津大学理学院化学系, 智能传感功能材料全国重点实验室, 有机集成电路教育部重点实验室, 天津市分子光电科学重点实验室, 天津 300072;
    2 天津大学理学院化学系, 化学化工国家级实验教学示范中心(天津大学), 天津 300354;
    3 天津理工大学材料科学与工程学院, 天津 300384
  • 收稿日期:2024-12-02 录用日期:2025-02-19 发布日期:2025-09-16
  • 通讯作者: 朱伟钢, 于曦 E-mail:w_zhu10@tju.edu.cn;xi.yu@tju.edu.cn
  • 基金资助:
    天津大学北洋学者英才计划启动经费二期；2024年天津大学理学院本科教育教学改革研究项目；2024年天津大学理学院研究生教育改革研究计划项目；天津大学2024人工智能赋能课程建设专项项目

Curriculum Development for Cheminformatics and AI-Driven Chemistry Theory toward an Intelligent Era

Weigang Zhu1,2, Jianfeng Wang1, Qiang Qi1, Jing Li3, Zhicheng Zhang1,2, Xi Yu1,2   

  1. 1 Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Key Laboratory of Organic Integrated Circuits, Ministry of Education, State Key Laboratory of Advanced Materials for Intelligent Sensing, Department of Chemistry, School of Science, Tianjin University, Tianjin 300072, China;
    2 National Demonstration Center for Chemistry and Chemical Engineering Education, Department of Chemistry, School of Science, Tianjin University, Tianjin 300354, China;
    3 School of Materials Science and Engineering, Tianjin University of Technology, Tianjin 300384, China
  • Received:2024-12-02 Accepted:2025-02-19 Published:2025-09-16
  • Contact: Weigang Zhu, Xi Yu E-mail:w_zhu10@tju.edu.cn;xi.yu@tju.edu.cn

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摘要： 近年来人工智能技术与化学课堂教学的融合催生了高等院校专业化学教育发展的新赛道，如何改造化学教学内容、创新教学方法、推动课程建设成为改革前沿之一。本文介绍了天津大学化学信息学与人工智能化学课程建设概况，阐述了课程立项建设的必要性，归纳了课程教学目标、知识领域与授课内容、创新特色及运行成效，提出了不足和未来改进计划，希望能为相关领域教学同行提供借鉴参考。

关键词: 机器学习, 人工智能, 化学教学, 化学信息学, 跨学科教学

Abstract: In recent years, the integration of artificial intelligence (AI) technology and chemistry education has given rise to a new track for the development of professional chemistry education in higher education institutions. How to transform chemistry teaching content, innovate teaching methods, and promote curriculum construction has become one of the key focuses. This article introduces the overview of the course construction of “Chemical Informatics and AI Chemistry” at Tianjin University, discusses the necessity of carrying out the project construction of artificial intelligence chemistry course, summarizes the teaching objectives, knowledge areas and teaching content, characteristic innovations and operational effects of the course, and puts forward shortcomings and future improvement plans, hoping to provide reference for teaching peers in related fields.

Key words: Machine learning, Artificial intelligence, Chemistry teaching, Cheminformatics, Interdisciplinary teaching