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Libraries of models

PKanalix provides libraries of ready-to-use models for compartmental analysis. This simplifies the use of the software by decreasing the necessity of coding. You can pick models from the library and use them directly or use them as a starting point for your custom model and edit them. They are accessible in the Model sub-tab of the CA task by clicking the button β€œLOAD FROM LIBRARY.β€œ

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The library is organized into several categories:

  • PK model library: includes standard compartmental pharmacokinetic models. It is possible to select different administration routes (oral, bolus, infusion, first-order absorption, zero-order absorption, with or without a log), different numbers of compartments (1, 2 or 3 compartments), and different types of elimination (linear or Michaelis-Menten). The PK library models can be used with single- or multiple-dose data, and with two different types of administration in the same data set (oral and bolus, for instance).

  • PD model library: includes pharmacodynamic models with direct response (such as Emax and Imax with different baseline options) and turnover response (inhibition or stimulation of production or degradation). These models are PD models only and the drug concentration over time must be defined in the dataset and passed as a regressor.

  • PK/PD model library: provides all standard combinations of the above pharmacokinetic and pharmacodynamic models.

  • PK double absorption model library: includes double absorption models. They take into account all combinations of absorption types and delays for two absorption processes. The absorption processes can be specified as simultaneous or sequential and with a pre-defined or independent order.

  • Parent-Metabolite model library: includes models describing parent drug and one metabolite, with or without the first pass effect, uni and bidirectional transformation, and up to three compartments for parent and metabolite.

  • Target-mediated drug disposition (TMDD) model library: includes a large number of TMDD models corresponding to different approximations, different administration routes, different parametrizations, and different outputs.

  • Tumor growth inhibition (TGI) library: includes a wide range of models for tumour growth (TG) and tumour growth inhibition (TGI) that are available in the literature. Models correspond to different hypotheses for tumor or treatment dynamics.

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In each library, available models are displayed in the bottom panel as a list. With the top filtering panel, you can easily selected a model based on its characteristics, such as administration type, number of compartments, or elimination mechanism. To select a model, click on its corresponding line. The model can be previewed by clicking the file icon to the right of the model name. When all filters are used, only one model is shown. After selecting a model, it is loaded and displayed in the Model tab.

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The model filename is displayed at the top of the left panel and has a prefix β€œlib” to distinguish it from custom models. Mapping of model outputs, important when there is more than one observation id, can be done with the right panel.

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