About FormulAI
Who We Are
FormulAI is a technology company focused on AI-powered computational pharmaceutics, integrating artificial intelligence, molecular dynamics simulation, and PBPK modeling to deliver intelligent drug formulation R&D solutions for pharmaceutical companies and research institutions worldwide.
We are dedicated to understanding formulation mechanisms through computational models and optimizing R&D decisions with intelligent algorithms — driving the transition from empirical to data-driven and mechanistic drug formulation development.
Mission
Accelerating drug formulation innovation
with AI and computational science,
to deliver better medicines to patients.
Drug Formulation AI
Using dedicated machine learning algorithms to predict the relationships between formulation composition, process parameters, and performance — supporting formulation screening, performance assessment, and R&D optimization.
Molecular Dynamics Simulation
Resolving interactions among drugs, excipients, and carriers at the atomic and molecular scale, providing computational evidence for formulation design and mechanistic research.
PBPK Modeling
Building multi-species physiologically-based pharmacokinetic models to simulate in vivo drug behavior, enabling mechanistic prediction from in vitro experiments and animal data to human PK profiles.
Management Team
Defang Ouyang, Ph.D.
Co-founder; Principal Investigator, University of Macau
Prof. Ouyang is a recognized scientist in computational pharmaceutics and AI drug delivery area. 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 140 refereed SCI journal papers, along with more than 150 invited talks. He held over 10 approved patents, which had been used in medicinal products. He edited the first book in this research domain <Exploring Computational Pharmaceutics – AI and Modeling in Pharma 4.0> (Wiley, 1st Edition in 2015 & 2nd edition in 2024). He has developed the crucial “Rule of 5” for effective AI drug delivery models and successfully built the first global artificial intelligence (AI)-based formulation platform “FormulationAI” (https://formulationai.computpharm.org/).
He serves as the associate editor of <Drug Delivery and Translational Research>, the editorial board or scientific advisor of <Advanced Drug Delivery Review>, <Asian Journal of Pharmaceutical Sciences>, <Pharmaceutical Research>, <Journal of Pharmaceutical Sciences> <npj Drug Discovery> and <iPharm>. He successfully trained 8 PhD and over 30 master students. He has been recognized as “World’s Top 2% Scientists” from 2020 to 2025.
Hao Zhong, Ph.D.
Co-Founder & CEO
Nannan Wang, Ph.D.
Co-Founder & CTO
Shuya Xu
COO
Contact
Get in Touch
Whether you want to explore our platform capabilities, advance a collaboration, or learn about AI-powered computational pharmaceutics, FormulAI is ready to connect and accelerate your drug formulation R&D.
Contact Address
Room 1010, 1/F, N1, Avenida da Universidade, Taipa, Macau, China