About Me

刘昊
Hao, Liu

I am a Ph.D. candidate in Pharmacokinetics and Drug Metabolism at the State Key Laboratory of Natural Medicines, China Pharmaceutical University, working at the intersection of computational pharmacology and artificial intelligence. My research focuses on applying advanced machine learning techniques to drug discovery, particularly for challenging therapeutic targets, and developing AI-driven approaches for pharmacokinetic modeling and clinical decision support. I am fortunate to be supervised by Academician Guangji Wang and Professor Guo Yu from China Pharmaceutical University, and Professor De-chuan Zhan from the School of Artificial Intelligence, Nanjing University.

🔬 Research Interests

My research bridges computational methods and pharmaceutical applications, with emphasis on:

Primary Focus: AI-Driven Drug Discovery for Challenging Targets

• Computational design and optimization of therapeutic peptides (antimicrobial peptides, cell-penetrating peptides)
• Integration of multimodal deep learning, reinforcement learning, and evolutionary algorithms
• Multi-objective optimization for drug-like properties (efficacy, safety, pharmacokinetics)
• Generative models for novel molecular design

Clinical Machine Learning Applications

• Interpretable deep learning models for clinical risk prediction
• Dynamic prediction systems for postoperative complications
• Frailty assessment and geriatric care optimization
• Mental health risk stratification (postpartum depression, perioperative anxiety)

Computational Pharmacology

• PK/PD modeling using machine learning approaches
• Drug-drug interaction prediction
• Population pharmacokinetics analysis

Public Health Informatics

• Epidemiological trend analysis and forecasting
• Health economics evaluation and cost-effectiveness modeling
• Disease burden assessment using global health data

📚 Publications

2025

Xu M, Liu H†, Dai A, et al. Dynamic and Interpretable Deep Learning Model for Predicting Respiratory Failure Following Cardiac Surgery. BMC Anesthesiology. 2025;25:239. DOI: 10.1186/s12871-025-03239-z

Liu D, Liu H, Wu Y, Wang W. Time trends in stomach cancer mortality across the BRICS: An age-period-cohort analysis for the GBD 2021. Front Public Health. 2025;13:1506925. DOI: 10.3389/fpubh.2025.1506925

Zhang S, Tuerganbayi K, Wang J, Liu H, Shen P, Guo Y, et al. Incorporating preoperative and intraoperative data to predict postoperative pneumonia in elderly patients undergoing non-cardiothoracic surgery: The online two-stage prediction tool. Geriatric Nursing. 2025;62:244–253. DOI: 10.1016/j.gerinurse.2025.02.012

2024

Dai A, Liu H, Shen P, et al. Incorporating preoperative frailty to assist in early prediction of postoperative pneumonia in elderly patients with hip fractures: an externally validated online interpretable machine learning model. BMC Geriatrics. 2024;24(1):472. DOI: 10.1186/s12877-024-05050-w

2023

Liu H, Dai A, Zhou Z, et al. An optimization for postpartum depression risk assessment and preventive intervention strategy based machine learning approaches. Journal of Affective Disorders. 2023;328:163-174. DOI: 10.1016/j.jad.2023.02.028 ⭐ First Author

🎓 Education

Ph.D. in Pharmacokinetics and Drug Metabolism | Sep 2024 – Present
State Key Laboratory of Natural Medicines, China Pharmaceutical University
Supervisors: Academician Guangji Wang (Principal, China Pharmaceutical University), Prof. Guo Yu (China Pharmaceutical University), Prof. De-chuan Zhan (Nanjing University)
Focus: AI-driven drug discovery and computational pharmacokinetics

Master of Pharmacy (M.Pharm.) | Sep 2021 – Jun 2024
School of Basic Medicine and Clinical Pharmacy, China Pharmaceutical University
Supervisor: Associate Chief Pharmacist Jianjun Zou (Nanjing First Hospital)
Thesis: Machine learning applications in clinical pharmacy and perioperative risk prediction

B.Sc. in Clinical Pharmacy | Sep 2016 – Jun 2021
Shenyang Pharmaceutical University

🏆 Awards & Honors

• Outstanding Doctoral Student Scholarship, China Pharmaceutical University, 2025
• National Scholarship, Ministry of Education of China, 2023
• First Class Academic Scholarship, China Pharmaceutical University, 2022, 2023
• Suzhou Industrial Park Scholarship, 2023

💻 Technical Skills

Programming & Data Science
Python (PyTorch, TensorFlow, scikit-learn), R (tidyverse, caret), MATLAB

Machine Learning & AI
Deep Learning (CNNs, RNNs, Transformers, GNNs), Reinforcement Learning, Evolutionary Algorithms, Multi-objective Optimization, Generative Models (VAE, GAN, Diffusion Models)

Bioinformatics & Computational Chemistry
RDKit, BioPython, Molecular Dynamics Simulations, Docking, Sequence Analysis

Clinical Data Analysis
Survival Analysis, Longitudinal Data Modeling, Clinical Trial Design, Meta-analysis

Tools & Platforms
Git, Docker, Linux/Unix, High-Performance Computing (HPC), Cloud Computing (AWS/Alibaba Cloud)

📰 News & Updates

July 2025: Paper on dynamic respiratory failure prediction accepted by BMC Anesthesiology

September 2024: Started Ph.D. program at State Key Laboratory of Natural Medicines

June 2024: Graduated with Master of Pharmacy degree

February 2023: First-author paper on postpartum depression risk assessment published in Journal of Affective Disorders

🔗 Academic Profiles

• Google Scholar
• ORCID
• GitHub
• CNKI

📍 Contact Information

Office: A202, Yifu Building, Nanjing University Xianlin Campus
163 Xianlin Avenue, Qixia District, Nanjing 210023, China
南京市栖霞区仙林大道163号, 南京大学仙林校区, 逸夫楼A202, 210023

Mailing Address: State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 211198, China

Last updated: December 2024