I’m a postdoctoral fellow jointly supported by the School of Biomedical Sciences at the University of Hong Kong (HKU) and the School of Life Sciences at Northwestern Polytechnical University (NPU) under the 2024 Hong Kong Scholars Program. I am currently collaborating with Prof. Yuanhua Huang and Prof. WONG, Jason Wing Hon at HKU, as well as Jian-Yu Shi at NPU. Previously, I was awarded a Ph.D. degree from NPU in 2024, a Master’s degree from the University of Chinese Academy of Sciences (UCAS) in 2020, and a Bachelor’s degree from Chang’an University in 2017. I was also a visiting student at the Institute for Infocomm Research (I2R), A * STAR, supervised by Dr. Min Wu from 2022 to 2023.

Research Interests

My primary research interests include deep learning, graph neural networks, and AI for drug discovery and cancer. The specific topics I have focused on and published several papers as first author on various sequential tasks in drug candidate screening, including compound-protein interaction prediction (Du et al., Drug Discovery Today, 2022), drug metabolic pathway prediction (Du et al., ISMB 2022 & Bioinformatics), drug pharmacokinetics and safety (ADMET) prediction (Du et al., RECOMB 2023) and drug metabolic stability prediction (Du et al., Bioinformatics, 2023). These researches are highly expected to obtain reliable drug candidates and speed up the process of drug discovery.

Talks

• 2024.11 Oral presenter, The 15th ACM Conference on Bioinformatics, Computational Biology, and Health Informatics (ACM BCB 2024), Shenzhen, China
• 2023.12 Oral presenter, 2023 IEEE International Conference on Bioinformatics and Biomedicine (BIBM 2023), Istanbul, Turkey.
• 2023.04 Oral presenter, The 27th Annual International Conference on Research in Computational Molecular Biology (RECOMB 2023), Istanbul, Turkey
• 2022.07 Oral presenter, The 30th Conference on Intelligent Systems for Molecular Biology (ISMB 2022), Madison, United States
• 2022.06 Oral presenter, The 6th QMUL-NPU PhD Summer School and Workshop, London & Xi’an
• 2023.06 Oral presenter, 2023 Bioinformatics and Intelligent Information Processing Conference, Jinan, China

Publications

(# Co-first author; * Corresponding author)

1. Bing-Xue Du, Yi Xu, Siu-Ming Yiu, Hui Yu*, Jian-Yu Shi*. MTGL-ADMET: A Novel Multi-task Graph Learning Framework for ADMET Prediction Enhanced by Status-Theory and Maximum Flow. The 27th Annual International Conference on Research in Computational Molecular Biology (RECOMB 2023)(Acceptance rate: 44/188=23.4%)(Early Accept). Lecture Notes in Computer Science, pp. 85–103.
2. Bing-Xue Du, Peng-Cheng Zhao, Bei Zhu, Siu-Ming Yiu, Arnold K. Nyamabo, Hui Yu*, Jian-Yu Shi*. MLGL-MP: a Multi-Label Graph Learning framework enhanced by pathway Interdependence for Metabolic Pathway prediction. The 30th Conference on Intelligent Systems for Molecular Biology, Madison (ISMB 2022) (Acceptance rate: 48/243=19.8%) Bioinformatics. 2022,38(S1): i325-i332 (2022 IF=6.937)
3. Bing-Xue Du, Yuan Qin, Yan-Feng Jiang, Yi Xu, Siu-Ming Yiu, Hui Yu*, Jian-Yu Shi*. Compound-protein interaction prediction by deep learning: databases, descriptors, and models. Drug Discovery Today. 2022,27(5):1350-1366. （2022 IF=8.369）
4. Bing-Xue Du, Yahui Long, Xiaoli Li, Min Wu*, Jian-Yu Shi*. CMMS-GCL: Cross-Modality Metabolic Stability Prediction with Graph Contrastive Learning. Bioinformatics. 2023,39(8): btad503 (2023 IF=5.8)
5. Bing-Xue Du, Yi Xu, Siu-Ming Yiu, Hui Yu*, Jian-Yu Shi*. ADMET Property Prediction via Multi-task Graph Learning under Adaptive Auxiliary Task Selection. iScience. 2023,26(11): 108285. (2023 IF=5.8)
6. Bing-Xue Du#, Haoyang Yu#, Bei Zhu#, Yahui Long, Min Wu*, Jian-Yu Shi*. GELKcat: An Integration Learning of Substrate Graph with Enzyme Embedding for Kcat Prediction. 2023 IEEE International Conference on Bioinformatics and Biomedicine (BIBM 2023), IEEE Computer Society, 2023: 408-411.

Honors and Awards

• Best Paper Runner-up Award of ACM BCB, 2024
• First Class Student Scholarship, 2022 & 2023
• RECOMB 2023 Travel Fellowship, Istanbul, 2023
• ISMB 2022 Outstanding Student Paper Honorable Mention (Ian Lawson Van Toch Memorial Award), 2022
• China National Scholarship for Doctoral Students (~1%), 2022
• Outstanding Graduate Student, 2022 & 2023
• Shaanxi Innovation and Entrepreneurship Competition for Scientific and Technical Professionals, 2nd Prize Award, 2020
• Excellent Student Cadre in UCAS, 2019
• Merit student of UCAS, 2018
• Outstanding Graduates of Chang’an University, 2017
• Excellent Recommended Postgraduate Scholarship of UCAS, 2016
• China National Scholarship for Undergraduates (~1.6%), 2016
• The sixth national “BD-CASTIC” excellent Award, 2015
• Excellent Student Cadre in Chang’an University, 2015
• First Class Student Scholarship in Chang’an University, 2014 & 2015

Education

• 2020.09-2024.06, Ph.D, Northwestern Polytechnical University, Xi’an, China
• 2017.09-2020.07 M.S., University of Chinese Academy of Sciences (UCAS), Beijing, China
• 2013.08-2017.07 B.S., Chang’an University, Xi’an, China

Experience

• 2022.12-2022.06, Research Assistant, Institute for Infocomm Research (I2R), A * STAR, Singapore
• 2018.07-2018.08, Research Assistant, The Chinese University of Hong Kong, Hong Kong, China