Defang OUYANG 歐陽德方
Assistant Professor

Academic Qualifications

  • PhD,  The University of Queensland, Australia
  • MSc, Shenyang Pharmaceutical University, China
  • BSc, Shenyang Pharmaceutical University, China


  • Computational Pharmacy (CMED728)
  • Application of Pharmacokinetics and Metabonomics in Drug Development (CMED724)


Dr Ouyang has a multidisciplinary background in pharmaceutics & computer modelling, with experience in academia and industry. He obtained his bachelor (2000) and master (2005) in pharmaceutics from Shenyang Pharmaceutical University, China. He completed his PhD in pharmacy at The University of Queensland, Australia, in 2010 and progressed directly to his faculty position (Lecturer in Pharmaceutics, PI) at Aston University (UK). From the end of 2014, he moved to the University of Macau.

Since 2011, he has pioneered the integration of multi-scale modeling, artificial intelligence and big data techniques in the field of drug delivery – “computational pharmaceutics“. He has published 2 books, 5 book chapters and over 50 refereed SCI journal papers. He held 4 approved patents, which had been used in medicinal products. He edited the first book <Computational Pharmaceutics – the application of molecular modeling in drug delivery> (John Wiley & Sons Inc., 2015) in this research area. He is invited to be the Editors-in-Chief of <In Silico Pharmacology> (Springer Nature) from January 2020. He also serves as the editorial board of <Asian Journal of Pharmaceutical Sciences> and scientific advisor of <Journal of Pharmaceutical Sciences>. He is establishing the first global artificial intelligence (AI)-based formulation platform ( He successfully trained 4 PhD and 25 master. Currently his group includes 1 postdoctoral, 3 PhD students and 4 master students.

His research focused on computational pharmaceutics, including:

  • Artificial intelligence (AI) of pharmaceutical formulations: to build the database of pharmaceutical formulations and predict the formulations of water-insoluble drugs by machine learning approaches;
  • Multi-scale modeling in drug delivery: to integrate quantum mechanics (QM), molecular dynamics (MD) and physiologically based pharmacokinetic (PBPK) modeling into drug delivery systems;
  • Pharmacoinformatics: big data analysis of pharmaceutical information from the literature, patent, clinical trial and marketed products.


10 representative publications in recent 3 years

  1. Run Han, Hui Xiong, Zhuyifan Ye, Yilong Yang, Tianhe Huang, Qiufang Jing, Jiahong Lu, Hao Pan, Fuzheng Ren, Defang Ouyang*. Predicting physical stability of solid dispersions by machine learning techniques, Journal of Controlled Release, 2019, 311-312, 16-25;
  2. Qianqian Zhao, Ye Zhuyifang, Yan Su, Defang Ouyang*. Predicting Complexation Performance between Cyclodextrins and Guest Molecules by Integrated Machine learning and Molecular Modeling Techniques. Acta Pharmaceutica Sinica B, 2019, ;
  3. Run Han, Tianhe Huang, Xunqing Yin, Haifeng Li, Defang Ouyang*. Insight into the dissolution molecular mechanism of ternary solid dispersions by combined experiments and molecular simulations. AAPS PharmSciTech, 2019, 20, 274;
  4. Zhuyifan Ye, Yilong Yang, Xiaoshan Li, Dongsheng Cao, Defang Ouyang*. An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction. Molecular Pharmaceutics, 2019, 16 (2), 533−541;
  5. Yilong Yang, Zhuyifan Ye, Yan Su, Qianqian Zhao, Xiaoshan Li, Defang Ouyang*. Deep learning for in vitro prediction of pharmaceutical formulations. Acta Pharmaceutica Sinica B, 2019;9(1):177–185;
  6. Hao Zhong, Ging Chan, Hao Hu, Yuanjia Hu, Defang Ouyang*. A comprehensive map on FDA-approved pharmaceutical products. Pharmaceutics, 2018, 10(4), 263;
  7. Tianhe Huang, Qianqian Zhao, Yan Su, Defang Ouyang*. Investigation of Molecular Aggregation Mechanism of Glipizide/Cyclodextrin Complexation by Combined Experimental and Molecular Modeling Approaches. Asian Journal of Pharmaceutical Sciences, 2018,;
  8. Qianqian Zhao, Nikhila Miriyala, Yan Su, Weijie Chen, Xuejiao Gao, Ling Shao, Ru Yan, Haifeng Li, Xiaojun Yao, Dongsheng Cao, Yitao Wang, Defang Ouyang*. Computer-Aided Formulation Design for a Highly Soluble Lutein−Cyclodextrin Multiple-Component Delivery System. Molecular Pharmaceutics, 2018, 15(4), 1664-1673;
  9. Run Han, Yilong Yang, Xiaoshan Li, Defang Ouyang*, Predicting Oral Disintegrating Tablet Formulations by Neural Network Techniques. Asian Journal of Pharmaceutical Sciences, 2018, 13(4), 336-342;
  10. Weixiang Zhang, Qianqian Zhao, Junling Deng, Yuanjia Hu, Yitao Wang, Defang Ouyang*. Big data analysis of global advances in pharmaceutics and drug delivery from 1980 – 2014. Drug Discovery Today. 2017, 22(8), 1201-1208.

Professional Society

  • American Chemical Society (ACS)
  • Asian Association of Schools of Pharmacy (AASP)

Academic Services

  • Fellow of the Higher Education Academy (UK);
  • Editorial board of <Asian Journal of Pharmaceutical Sciences>;
  • Scientific Advisor of <Journal of Pharmaceutical Sciences>;
  • Editorial board of <In Silico Pharmacology> (Springer);
  • Guest editor of Special Issue “Gene Therapy” of <Pharmaceutics>;
  • Grant reviewer of BBSRC (UK) and French National Research Agency (ANR);
  • 2015 Outstanding reviewer of <International Journal of Pharmaceutics>;
  • Reviewer of <Molecular Pharmaceutics>, <International Journal of Pharmaceutics>, <Journal of Pharmaceutical Sciences>, <Journal of Pharmacy and Pharmacology>, <Drug Development and Industrial Pharmacy>, <American Journal of Pharmaceutical Education>, <BMC Biotechnology>, <Journal of Biomaterial Application>, <Pharmaceutics>, <Bioconjugate Chemistry>, <BMC Biotechnology>, <Chemical Communications>, <Colloids and Surfaces B Biointerfaces>, <International Journal of Molecular Sciences>, <Journal of Photochemistry and Photobiology B Biology>, <Pharmaceutics>, <Chemical Physics Letter>, <Journal of Physical Chemistry Letter> <Journal of Liposome Research>, <Drug Delivery> and <Biomacromolecules> et al.;

Contact Details

Institute of Chinese Medical Sciences SKL of Quality Research in Chinese Medicine University of Macau, N22 Avenida da Universidade, Taipa, Macau
Tel: +853-8822-4514