Results section

Model parameters

Characteristics

The mean and the standard deviation of the age, weight, height and body mass index (BMI) of the generated population are displayed in this section. These parameters are essential for understanding the physiological context of the PBPK model and how they may influence drug pharmacokinetics.

ADME data

The absorption, distribution, metabolism, and excretion (ADME) parameters used in the PBPK model are summarized here. This includes information on drug absorption rates, volume of distribution, plasma clearance, and renal clearance, providing insights into the drug's pharmacokinetic profile.

These parameters are computed based on the inputs provided in the ADME sections.

Simulation results

Concentration-time plot and the summary of the pharmacokinetic parameters that can be viewed as a table can be toggled using the provided button.

Simulation Plot

A few options are provided to customize the simulation plot according to the user's preferences. Users can select a particular tissue concentration to be viewed, zoom the plot to a specific dose, choose the x and y axis units, compare against observed data (if available) and choose between linear and logarithmic scales for both axes.

There are buttons provided to download the raw simulation data in CSV format and to download the plot as a PNG image.

PK Table

Various pharmacokinetic parameters are calculated from the simulated concentration-time data and presented in a tabular format. These parameters include:

  1. Cmax - maximum concentration for the selected time interval
  2. Cmin - minimum concentration for the selected time interval
  3. AUC0-t - area under the curve for the selected time interval
  4. AUC0-inf - area under the curve to infinity based on the selected time interval
  5. Tmax - time to reach maximum concentration
  6. Thalf - elimination half-life
  7. Fe - fraction of the administered drug eliminated through the different pathways (colon, liver and kidneys) until the simulated time
  8. AFE - average fold error between observed and simulated data, if available