Pharmacokinetic Modeling and Optimal Experimental Design: Applications and Prospects

Dear Colleagues,

In recent years, pharmacokinetic (PK) modeling has become an essential tool in drug development, clinical pharmacology, veterinary medicine, and regulatory science. From defining optimal dosing regimens to understanding variability across populations and species, pharmacokinetic (PK) modeling provides a mechanistic framework for interpreting drug concentration-time profiles and predicting therapeutic outcomes.

This Special Issue aims to bring together high-quality original research and critical reviews that advance the field of pharmacokinetic modeling and its integration with optimal experimental design (OED). Optimal design methods enable researchers to maximize the efficiency and informativeness of experiments, minimize the use of animals and humans, and accelerate the translation of science. These approaches are especially relevant in light of regulatory, ethical, and economic constraints in both human and veterinary drug development.

We welcome submissions covering a wide range of topics, including but not limited to:

• Novel PK modeling strategies (compartmental, non-compartmental, and physiologically based);
• Bayesian and population modeling approaches;
• Optimal experimental design in preclinical and clinical pharmacokinetics;
• Applications of PK models to antimicrobial stewardship and resistance mitigation;
• Integration of PK/PD models and simulation tools;
• Applications of modeling in One Health contexts, translational pharmacology, and personalized medicine;
• Machine learning and AI in pharmacokinetic modeling;
• Ethical and regulatory perspectives on model-informed approaches.

This Special Issue aims to explore how advanced pharmacometric tools can optimize drug use, inform regulatory decisions, and foster interdisciplinary collaboration across pharmaceutical, clinical, and veterinary sciences.

We encourage both theoretical and applied contributions. Join us in shaping the future of model-informed drug development and precision therapeutics.

Prof. Dr. Nora Mestorino
Dr. Daniel Buldain
Guest Editors

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• pharmacokinetic modelling
• optimal experimental design
• PK/PD integration
• model-informed drug development
• bayesian pharmacometrics
• translational pharmacology
• veterinary pharmacology
• precision dosing
• machine learning in pharmacology