大学化学2025，Vol.40Issue(2)：320-331,12.DOI:10.12461/PKU.DXHX202405090
人工智能预测模型在有机化学实验教学中的应用初探
Exploring the Application of Artificial Intelligence Prediction Models in Organic Chemistry Laboratory Teaching:A Preliminary Study
摘要
Abstract
Organic chemistry laboratory is a fundamental,compulsory course in chemistry and related disciplines,with synthesis experiments at their core.This paper introduces artificial intelligence prediction models into the teaching of synthesis experiments in organic chemistry courses.Specifically,the ASKCOS model is applied to perform both forward synthesis prediction and retrosynthesis prediction.The results indicate that the existing model provides reliable predictions for the synthesis experiments covered in the curriculum,with hit rates for both forward and retrosynthesis predictions reaching as high as 88.5%.The integration of AI prediction models into undergraduate laboratory teaching enhances students'understanding of organic chemical synthesis,promotes the concept of AI-assisted organic synthesis,fosters interdisciplinary collaboration,improves teaching quality,and encourages divergent thinking,thereby laying a strong foundation for their future research work.关键词
AI模型/有机合成/正向合成预测/逆合成预测Key words
AI Model/Organic synthesis/Forward synthesis prediction/Retrosynthesis prediction分类
社会科学引用本文复制引用
周成卓,谢召军..人工智能预测模型在有机化学实验教学中的应用初探[J].大学化学,2025,40(2):320-331,12.基金项目
南开大学实验教学改革项目(23NKSYJC06) （23NKSYJC06）
国家自然科学基金重点项目(21933006) （21933006）
