ChatMol: interactive molecular discovery with natural language.

Journal: Bioinformatics (Oxford, England)
Published Date: Sep 2, 2024

Abstract

MOTIVATION: Natural language is poised to become a key medium for human-machine interactions in the era of large language models. In the field of biochemistry, tasks such as property prediction and molecule mining are critically important yet technically challenging. Bridging molecular expressions in natural language and chemical language can significantly enhance the interpretability and ease of these tasks. Moreover, it can integrate chemical knowledge from various sources, leading to a deeper understanding of molecules.

Authors

  • Zheni Zeng
    Department of Computer Science and Technology, Tsinghua University, Beijing, China.
  • Bangchen Yin
    Department of Computer Science and Technology, Tsinghua University, Beijing 100084, China.
  • Shipeng Wang
    School of Navigation, Shandong Jiaotong University, Weihai, 264200, China.
  • Jiarui Liu
    Department of Anatomy, Histology and Embryology, Neuroscience Research Institute, Health Science Center, Peking University, Beijing, China.
  • Cheng Yang
    State Key Laboratory of Medicinal Chemical Biology and College of Pharmacy, Nankai University, Tianjin 300071, China.
  • Haishen Yao
    Ping An Health Technology, Beijing, China.
  • Xingzhi Sun
    Ping An Health Technology, Beijing, China.
  • Maosong Sun
    State Key Laboratory of Intelligent Technology and Systems, Tsinghua National Laboratory for Information Science and Technology, Department of Computer Science and Technology, Tsinghua University, Beijing, China; Jiangsu Collaborative Innovation Center for Language Competence, Jiangsu, China.
  • Guotong Xie
    Ping An Health Technology, Beijing, China.
  • Zhiyuan Liu
    State Key Laboratory of Intelligent Technology and Systems, Tsinghua National Laboratory for Information Science and Technology, Department of Computer Science and Technology, Tsinghua University, Beijing, China.

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