Monte Carlo simulations in drug release

J Pharmacokinet Pharmacodyn. 2019 Apr;46(2):165-172. doi: 10.1007/s10928-019-09625-8. Epub 2019 Mar 18.


We present methods based on simple sampling Monte Carlo simulations that are used in the study of controlled drug release from devices of various shapes and characteristics. The manuscript is part of a special tribute issue for Prof. Panos Macheras and we have chosen applications of the Monte Carlo method in the field of drug release that were pioneered by him and his research group. Thus, we focus on the investigation of diffusion based release and we present methods that go beyond the application of the classical fickian diffusion equation. We describe methods that have proven to be effective in illuminating the profound effects of the substrate heterogeneity on the drug release profiles and demonstrate some of the most powerful applications of agent based simulations and numerical methods in the field of pharmacokinetics.

Keywords: Drug release; Monte Carlo simulations; Numerical methods.

Publication types

  • Review

MeSH terms

  • Computer Simulation
  • Delayed-Action Preparations / pharmacokinetics*
  • Diffusion
  • Drug Liberation / physiology*
  • Humans
  • Monte Carlo Method


  • Delayed-Action Preparations