Zhenxing WU is an Assistant Professor of Teaching and Research at Shenzhen University of Advanced Technology (SUAT). His research focuses on AI-driven molecular property prediction, molecular design and optimization methods. He has been awarded the National Natural Science Foundation of China as principal investigator. As first author or co-first author, he has published 10 papers in high-impact journals, including Nature Machine Intelligence, Nature Communications, and Journal of Medicinal Chemistry, with more than 3,000 citations to date.

1. AI-based methods for molecular property prediction

2. Multi-property molecular optimization methods

3. XAI in drug design

Education:

2018.09-2023.06: Ph.D. in Medicinal Chemistry, College of Pharmaceutical Science, Zhejiang University (Advisor: Professor Tingjun Hou)

2014.09-2018.06: B.S. in Pharmacy, College of Pharmaceutical Science, Zhejiang University

Professional Experience:

2025.08-Present: Shenzhen University of Technology (SUAT), Assistant Professor (Tenure-track)

2023.07-2025.07: Postdoctoral Fellow, College of Pharmaceutical Science, Zhejiang University

Research Projects:

1. National Natural Science Foundation of China (Youth Program), 2025–2027;

2. China Postdoctoral Science Foundation 74th Batch General Grant, 2023–2025;

3. The Postdoctoral Fellowship program (Grade B) of China Postdoctoral Science Foundation, 2023-2025;

Selected publications

1. Zhenxing Wu, Odin Zhang, Xiaorui Wang, Li Fu, Huifeng Zhao, Jike Wang, Hongyan Du, Dejun Jiang, Yafeng Deng, Dongsheng Cao*, Chang-Yu Hsieh*, Tingjun Hou*, Leveraging language model for advanced multiproperty molecular optimization via prompt engineering. Nature Machine Intelligence, 2024: 1-11.

2. Zhenxing Wu, Jike Wang, Hongyan Du, Dejun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dongsheng Cao*, Chang-Yu Hsieh*, Tingjun Hou*, Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature Communications, 2023, 14(1): 2585.

3. Zhenxing Wu, Dejun Jiang, Jike Wang, Chang-Yu Hsieh*, Dongsheng Cao*, Tingjun Hou*, Mining toxicity information from large amounts of toxicity data. Journal of Medicinal Chemistry, 2021, 64, 6924-6936.

4. Guoli Xiong#, Zhenxing Wu#, Jiacai Yi#, Li Fu, Zhijiang Yang, Changyu Hsieh, Mingzhu Yin, Xiangxiang Zeng, Chengkun Wu, Aiping Lu, Xiang Chen, Tingjun Hou*, Dongsheng Cao*, ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic Acids Research, 2021, 49(W1), W5-W14.

5. Zhenxing Wu, Dejun Jiang, Jike Wang, Xujun Zhang, Hongyan Du, Lurong Pan, Changyu Hsieh*, Dongsheng Cao*, Tingjun Hou*, Knowledge-based BERT: a method to extract molecular features like computational chemists. Briefings in Bioinformatics, 2022, 23, bbac131.