Integrated pharmacokinetic-pharmacodynamic and agent-based modelling in drug development: Current status and future perspectives.

In the past two decades, quantitative mathematical modelling approaches have emerged as a paradigm to improve new drug research productivity, especially the application of pharmacokinetic-pharmacodynamic and quantitative systems pharmacology modelling. These approaches have largely made use of deterministic, differential equation-based models, however there is a growing use of agent-based models. In this review, the current applications and practices of agent-based model development are reviewed via relevant case studies from the literature. Gaps in the implementation of these models are identified and a future perspective on the priorities for further agent-based model development is given.