Prof. Hanyu GAO's Publications
Year: Show All | 2025 | 2024 | 2023 | 2022
Article
Wang, Yiming; Fang, Yue; Zhou, Haifan; Gao, Hanyu, "A Machine Learning Model for Predicting the Propagation Rate Coefficient in Free-Radical Polymerization", Molecules, v. 29, (19), October 2024, article number 4694 (2024) 
Ruan, Yixiang; Lu, Chenyin; Xu, Ning; He, Yuchen; Chen, Yixin; Zhang, Jian; Xuan, Jun; Pan, Jianzhang; Fang, Qun; Gao, Hanyu; Shen, Xiaodong; Ye, Ning; Zhang, Qiang; Mo, Yiming, "An automatic end-to-end chemical synthesis development platform powered by large language models", Nature Communications, v. 15, (1), December 2024, article number 10160 (2024)
Cai, Chengzhi; Li, Lifeng; Guan, Yafang; Huang, Xiaoshan; Ke, Shiqing; Wang, Wenfei; Li, Yu; Yang, Yujuan; Liang, Hong; Li, Shuhua; Wu, Yufang; Gao, Hanyu; Qiao, Zhiwei, "High-throughput computational screening and molecular fingerprint design of metal-organic framework adsorbents for separation of C3 components", Giant, v. 17, March 2024, article number 100223 (2024)
Chen, Yufan; Leung, Ching Ting; Sun, Jianwei; Huang, Yong; Chen, Hao; Gao, Hanyu, "MolNexTR: a generalized deep learning model for molecular image recognition", Journal of Cheminformatics, v. 16, (1), December 2024, article number 141 (2024)
Xu, Lianjie; Deng, Puqing; Gao, Hanyu; Zhang, Wen-Bin, "Systematic discovery and feature analysis of intertwined symmetric protein motifs for topology engineering", Giant, v. 17, March 2024, article number 100226 (2024)
Zhou, Haifan; Fang, Yue; Gao, Hanyu, "Using Active Learning for the Computational Design of Polymer Molecular Weight Distributions", ACS Engineering Au, v. 4, (2), April 2024, p. 231-240 (2024)
Book chapter
Gao, Hanyu, "Machine learning in reaction engineering", Artificial Intelligence in Manufacturing: Applications and Case Studies / edited by Masoud Soroush and Richard D Braatz. London, UK : Elsevier, 2024, p. 139-166, Ch. 5 (2024)
Conference paper
Yu, Yemin; Yuan, Luotian; Wei, Ying; Gao, Hanyu; Wu, Fei; Wang, Zhihua; Ye, Xinhai, "RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction", Proceedings of the AAAI Conference on Artificial Intelligence, v. 38, (1), March 2024, p. 374-382 (2024)
