PK-Sim® Features

Characteristics of PK-Sim^® that make it a powerful tool for PBPK simulations

PK-Sim^® simulates the processes responsible for absorption, distribution, metabolism and excretion (ADME) of active compounds in the body. The features of the PK-Sim^® Clinical full version containing all available add-on modules include:

Simulation of mammalian pharmacokinetics following single or multiple intravenous or oral administrations in various species (e.g. mouse, rat, dog, monkey, human)
Full control over physiological properties: organ volumes and blood flow rates are pre-defined and can easily be adjusted
Minimized requirements for compound specific input data: lipophilicity, plasma protein binding, molecular weight, solubility, pK_a-value(s), hepatic and renal clearances
Generation of pH versus solubility tables
Simulation of the dissolution dynamic of a solid particle formulation with predefined particle size distribution
Physiology-based simulation of gastro-intestinal transit and absorption
Simulation of saturable active uptake and efflux processes as well as luminal degradation and gut wall metabolism
Permeation limited distribution model
Population database providing physiological information that mainly depend on age, gender and BMI for different races
Species database providing physiological data for different animal models
Definition of trial populations by age, gender and body size
Scaling of anatomical parameters to body size
Random interindividual variability predefined or user defined
Minimum, mean and maximum concentration curves, concentration density plots
Median and percentile curves
Statistics of pharmacokinetic parameters
Distribution plots for pharmacokinetic parameters
Output of concentration-time curves and pharmacokinetic parameters (fraction absorbed, AUC, Vss) in each body organ (whole organ, interstitial, or intracellular concentration, total and unbound concentration)
Databases for compound data (project specific and global)
Project database for convenient management of simulation settings and results
Import/Export functions for experimental and simulation data
Convenient and intuitive graphical user interface
Powerful graphical output of simulation results