Junren Li (grad22)
时间：2025-12-13
Junren Li
Physical Chemistry, Peking University
Under. 2018. Grad. 2022.
Research Area: Computer-Aided Synthesis Planning (CASP), Reaction Prediction, Drug Discovery
Email: lijunren_at_pku.edu.cn
Experiences:
2000.3, born in Shandong, China
2018.9--2022.7, B. Sc. in chemistry, College of Chemistry and Molecular Engineering, Peking University
2022.9--present, Ph.D candidate, College of Chemistry and Molecular Engineering, Peking University. ( Co-directed by Prof. Luhua Lai and Prof. Zhirong Liu)
Publications:
1. Zehua Zhao#, Zhixian Huang#, Junren Li#, Siyu Lin#, Junting Zhou, Fengqi Cao, Kun Zhou, Rui Ge, Tingting Long, Yuexiang Zhu, Yan Liu, Jie Zheng, Junnian Wei, Rong Zhu, Peng Zou, Wenyu Li, Zekai Cheng, Tian Ding, Yaxuan Wang, Yizhao Yan, Tingru Wei, Haowei Ming, Weijie Mao, Chen Sun, Yiming Liu, Zichen Wang, Zuo Zhang, Tong Yang*, Hao Ma*, Zhen Gao*, and Jian Pei*. SUPERChem: A multimodal reasoning benchmark in chemistry. https://arxiv.org/pdf/2512.01274
2. Krzysztof Maziarz, Guoqing Liu, Austin Tripp, Junren Li, Piotr Gaiński, Marwin Segler*, Chemist-aligned retrosynthesis by ensembling diverse inductive bias models, NeurIPS 2025 Workshop AI4Science, https://openreview.net/forum?id=F05pziBqOg
3. Qi Sun*, Hanping Wang, Juan Xie, Liying Wang, Junxi Mu, Junren Li, Yuhao Ren, and Luhua Lai*. Computer-aided drug discovery for undruggable targets. Chem. Rev. 125 (13), 6309-6365 (2025). https://pubs.acs.org/doi/pdf/10.1021/acs.chemrev.4c00969
4. Kangjie Lin, Junren Li, Haoyu Lin, Jianfeng Pei*, Luhua Lai*. Reaxtica: A knowledge-guided machine learning platform for fast and accurate reaction selectivity and yield prediction, https://doi.org/10.26434/chemrxiv-2022-lb8b8
5. Junren Li, Kangjie Lin*, Jianfeng Pei*, and Luhua Lai*. Challenging complexity with simplicity: Rethinking the role of single-step models in computer-aided synthesis planning. J. Chem. Inf. Model. 64 (14), 5470-5479 (2024). https://pubs.acs.org/toc/jcisd8/64/14
6. Junren Li, Lei Fang*, Jian-Guang Lou. Retro-BLEU: quantifying chemical plausibility of retrosynthesis routes through reaction template sequence analysis. Digital Discovery 3, 482-490 (2024). https://doi.org/10.1039/D3DD00219
7. Lei Fang*, Junren Li, Ming Zhao, Li Tan, Jian-Guang Lou. Single-step retrosynthesis prediction by leveraging commonly preserved substructures. Nat. Commun. 14, 2446 (2023). https://doi.org/10.1038/s41467-023-37969-w
8. Junren Li, Lei Fang*, Jian-Guang Lou. RetroRanker: leveraging reaction changes to improve retrosynthesis prediction through re-ranking. J. Cheminform. 15, 58 (2023). https://doi.org/10.1186/s13321-023-00727-7
Meetings:
1. National Doctoral Student Academic Forum on Intelligent Chemistry and Green Synthesis, Oral, November 2022, Online.
2. The 33rd CCS Congress, Poster, June 2023, Qingdao, Shandong.
3. 2023 RSC-Wuhan University Emerging Investigator Forum: Artificial Intelligence Energized Synthetic Chemistry, November 2023, Wuhan, Hubei.
4. Quantitative Biology 2024: Biomedical Data and AI, Best Poster Award, July 2024, Chengdu, Sichuan.
5. 74th Lindau Nobel Laureate Meeting, Oral Presentation in Next Generation Science Section (AI for Chemistry), 29 June to 4 July 2025, Lindau, German.
Awards:
1. Freshman Scholarship for Molecular Science, College of Chemistry and Molecular Engineering (2022)
2. Award for Scientific Research, Peking University (2023, 2024, 2025)
3. Xianfeng Award of Physical Chemistry, College of Chemistry and Molecular Engineering (2023).
4. Peking University Second Class Scholarship (2024).
5. Peking University President Scholarship (2025).
Hobbies:
Spirits tasting, Hiking, Martial arts novels (Wuxia).
