Getting started

This section enables a new user to understand the interface of Teoreler PBPK models and enables a new user to perform PBPK simulations for their drug of interest.

✶ Interface

The interface looks as shown above for all the PBPK models on Teoreler. A concise interface has been presented where parameters have been categorized under various tabs to ease congestion on the screen. Description about each of the parameters of the PBPK model are described in additional sections displayed on the sidebar under contents.

✶ How to perform a PBPK model simulation?

There are three ways to proceed with executing a simulation:

1. Preloaded drug profile - Choose a drug from the available library. Choosing a preloaded profile would update all the inputs with the appropriate values. The user can choose to simulate a population (maximum of 100) from the 'Other Inputs' tab. Clicking on 'Run simulation' button would present you the results.
   Please note: The drug profile library would be regularly updated. If the users want to contribute to this library, please use the 'Contact us' section to write to us.
2. Input boxes - If the drug profile of interest is not available, the user can manually enter the parameters in the various input options provided. Three tabs - Drug inputs, ADME inputs and Dose inputs should be provided by the user to perform a simulation.
   If any of the parameters is invalid, the color of the 'Run simulation' button fades and is inactive. Invalid boxes have a red border and on hovering over the box, a message is displayed on why this value is invalid.
   Invalid values: Once all values are valid, simulations can be run. The values entered by the user are saved in the boxes and any changes made to the boxes are saved. The values are saved until the user closes the browser tab and they are reset again when the user returns for a new session.
   Please note: It is recommended to use the 'Download data' tab to save the 'Drug parameters' as an excel sheet which can be directly uploaded using the 'Upload parameters' feature provided. This can reduce the hassle of editing the input boxes manually every time the user starts a new session.
3. Upload parameters - If the user has all the required data as an excel file, this can be uploaded using the 'Upload parameters' button. On clicking the 'Upload parameters' button, a pop up appears to browse the user's computer for the appropriate file to be uploaded.
   Upload file template - An excel template file can be downloaded on clicking the button with the download icon adjacent to the 'Upload parameters' button to populate your values.
   Missing values: If there are any values missing for the parameters in the uploaded excel template, zero is allocated to the missing parameter value.
   Invalid file: If the user uploads an invalid file, the values provided in the input boxes are used instead.