Research
My work lies at the intersection of machine learning, graph neural networks, and bioinformatics. We are interested in:
- Text-based molecule generation
- LLM for chemical synthesis
- Drug-target interaction / binding affinity prediction
- Drug-drug interaction event prediction
News
Positions
We are always looking for highly motivated students and postdocs!
- Master / Ph.D. students (CS or biology backgrounds)
- Postdoctoral researchers in ML/bioinformatics
- Undergraduate research interns
Send your CV to jack_lin@xtu.edu.cn.
Visitors Map
🌍 上图已展示世界地图轮廓。
接入 ClustrMaps 后可显示实时访客位置热点。
About Me
Education
2017.09 – 2021.06 Ph.D. in Computer Science, Hunan University
2019.10 – 2020.08 Visiting Ph.D., UIC (Prof. Philip S. Yu)
Work Experience
Associate Professor, School of Computer Science, Xiangtan University (Present)
Visiting Scholar, University of Illinois at Chicago (2019–2020)
Selected Publications
Enhancing chemical reaction and retrosynthesis prediction with large language model and dual-task learning
Xuan Lin, Qingrui Liu, Hongxin Xiang*, Daojian Zeng, Xiangxiang Zeng
IJCAI 2025 (accepted)
DynamicDTA: drug-target binding affinity prediction using dynamics descriptors and graph representation
Dan Luo, Jinyu Zhou, Le Xu, Sisi Yuan, Xuan Lin*
Interdisciplinary Science, 2025
CTF-DDI: Constrained tensor factorization for drug–drug interactions prediction
Guosheng Han, Lingzhi Peng, Aocheng Ding, Yan Zhang, Xuan Lin*
Future Generation Computer Systems, 161: 26-34, 2024
CSCL-DTI: predicting drug-target interaction through cross-view and self-supervised contrastive learning
Xuan Lin, Xi Zhang, Zu-Guo Yu, Yahui Long*, Xiangxiang Zeng, Philip S. Yu
2024
Interpretable attention network with multi-view learning for drug-drug interaction prediction
Xuan Lin, Qi Wen, Sijie Yang, Zu-Guo Yu, Yahui Long*, Xiangxiang Zeng
IEEE BIBM 2023
Full list on Google Scholar
Group Members
Qingrui Liu
Ph.D. Student
Chemical reaction prediction, LLMs
Dan Luo
Master Student
Drug-target affinity, dynamics
Guosheng Han
Master Student (Alumni)
Tensor factorization, DDI
Qi Wen
Master Student (Alumni)
Multi-view learning, DDI
Interested in joining? Contact jack_lin@xtu.edu.cn.
