Abstract

Modeling and simulation in pharmacokinetics has has turned into the focus of pharmaceutical companies, driven by the emerging consensus that in silico predictions combined with in vitro data have the potential of significantly increasing insight into pharmacokinetic processes. To adequately support in silico methodology, software tools need to be user-friendly and, at the same time, flexible. In brief, the software has to allow the realization of modeling ideas that are beyond current knowledge – in the form of a virtual lab. We present and discuss the necessary design principles and concepts. These have been implemented in the software package MEDICI-PK to demonstrate its feasibility and advantages.