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The Artificial Intelligence-Driven Intelligent Laboratory for Organic Chemistry Synthesis

  • Tan Li*
  • , Weining Song
  • , Nanjiang Chen
  • , Qi Wang
  • , Fangfang Gao
  • , Yalan Xing
  • , Shouluan Wu
  • , Chao Song
  • , Junjin Li
  • , Yu Liu
  • , Shenghua Li
  • , Congying Wu
  • , Zhenyu Zhang
  • *Corresponding author for this work
  • Nanchang University
  • Ltd.

Research output: Contribution to journalReview articlepeer-review

Abstract

The deep integration and application of artificial intelligence to organic chemistry are propelling the development of organic chemistry synthesis laboratories toward an intelligent automated laboratory model characterized by “hardware + software + AI”. This paper systematically explores the overall framework of AI-driven intelligent laboratories for organic chemistry synthesis, achieving automation and flexibility through standardized experimental integration workstations and intelligent scheduling and collaborative management of experimental resources. By leveraging multimodal databases, the integration of large models, machine learning, and other AI technologies enables AI-driven closed-loop intelligent chemical experiments, including product prediction, molecular retrosynthetic planning, and synthesis reaction optimization. The paper proposes a cloud-based shared operational model for chemical laboratories, aiming to achieve socialized sharing and intelligent matching of experimental resources, thereby facilitating the accumulation and sharing of chemical experimental data to promote the intelligent development of organic chemistry synthesis experiments. Practical cases of building intelligent chemical laboratories are shared, providing paths for technology implementation in constructing the next generation of automated and intelligent chemical laboratories.

Original languageEnglish
Article number7387
JournalApplied Sciences (Switzerland)
Volume15
Issue number13
DOIs
StatePublished - Jul 2025

Keywords

  • AI-driven intelligent chemical experiment
  • cloud-based shared laboratory
  • computational chemistry
  • laboratory automation
  • organic chemistry synthesis

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