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Version 11.0

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Release Notes for the Open Systems Pharmacology Software Suite 11

New features

Expression Profile as standalone building block

Until PK-Sim version 10, expression profiles could only be created within an individual or a population.
Starting with the version 11, expression profiles can be created independently (like all other building blocks) and thus can be reused in different individuals/populations.

For the details s. the documentation

Building block templates in PK-Sim can be downloaded directly from the OSP GitHub site

OSP Platform qualification library and PBPK Models Library

PBPK Models library extended

New PBPK models added:

OSP Qualification reports library extended

New Qualification reports added:

  • CYP1A2 DDI

    This qualification report evaluates the developed PBPK drug-drug interactions (DDI) models network for the ability to perform simulations with the intended purpose to predict cytochrome P450 1A2 (CYPA12)-mediated DDI.

  • CYP2C19 DDI

    This qualification report evaluates the developed PBPK drug-drug interactions (DDI) models network for the ability to perform simulations with the intended purpose to predict cytochrome P450 2C19 (CYP2C19)-mediated DDI.

Model building process and model quality of every new PBPK model is documented in the corresponding model evaluation report.

New releases of OSP Platform qualification library and PBPK Models Library

As with every new OSP Suite release, ALL platform qualification reports and model evaluation reports have been recreated with the new version of the OSP Suite and the latest version of the OSP Qualification Framework:

[Experimental!] Creating individuals and populations with CKD (Chronic Kidney Disease)

Already in version 10 of the software it was possible to use predefined CKD templates (based on the publication Malik PRV, Yeung CHT, Advani U, Dije S, Edginton AN. A Physiological Approach to Pharmacokinetics in Chronic Kidney Disease. J Clin Pharmacol 2020. 60 Suppl 1: S52-S62. doi: 10.1002/jcph.1713).

With version 11, CKD individuals and populations can now be created dynamically.
When creating an individual, a new option "Disease State" is provided, which allows a selection between Healthy and diseased individuals.

For the details s. the documentation and the original publication by Malik et al.

[Experimental!] New preclinical species

Two new preclinical species were added: Cat and Cattle.
The validation of the new species is not fully finalized yet, so both species are provided as an experimental version.
Cattle models can be used with IV applications only.

Extension of Container Criteria in MoBi

Container Criteria can be concatenated now not only by AND but also by OR operator
This extension is particularly used for the newly introduced Container Criteria of local molecule parameters

Color group observed data when drag and dropping folders to charts

When adding data sets via drag-and-drop of a folder (or multiple folders), all data sets within one folder can be assigned to a single color. This behavior is optional and can be changed by a setting integrated into the context menu of the “Observed Data” entry of the building blocks explorer. This setting is valid for all subfolders.

grafik

Alternatively, this feature can be toggled on and off from the User Settings:

  • PK-Sim: under “Utilities” -> “Options” -> “General” -> “Colors”
    grafik
  • MoBi: under “Utilities” -> “Options” -> “Chart Options”
    grafik

Also, in case the user selects individual observed data sets instead of folders and drags and drops them on the plot, then each one should be assigned a new color, and they should not be grouped according to the folder they belong to.

High Screen Resolution Support

Users reported some issues with the layout of PK-Sim or MoBi when using custom font scaling on 4k monitors (or screen with high resolutions). Some UI elements were hidden, some icons were blurry, some text hard to read etc. The version 11 of PK-Sim and MoBi should address these issues and the tools should now behave as expected, even when using custom font scaling.

New release of the ospsuite R package

  • Many Fixed issues and Improvements (s. the ospsuite R package news page and the ospsuite R package release page for details)
  • Major new features:
    • Adds new DataCombined class that combines observed data (DataSet) and
      simulated data (SimulationResults) into a single object. Especially
      important is the $toDataFrame() method of this object that returns a data
      frame containing combined data from observed and simulated data, which can be
      further used for visualizations or other analysis.

    • Adds new visualization functions:

      • plotIndividualTimeProfile() and plotPopulationTimeProfile() to create
        time-profile plots.
    • Adds a new class DefaultPlotConfiguration to provide plot configurations for
      plotting functions.

    • Adds simulationResultsToDataFrame() function to convert SimulationResults
      objects into a data frame.

    • All *ToDataFrame() functions also get *ToTibble() variants to extract a
      tibble data frame instead of a classical data frame.

S. documentation of the ospsuite R package for detailed description and usage examples.

(Re-)Qualification framework updated

OSP (Re-)Qualification framework is a technical framework to assess the confidence of specific intended use of the OSP platform. This framework allows for an automatic (re)-qualification workflow of the OSP suite.

  • (Re-)Qualification framework is not part of the OSP Suite setup (is only required for the creation of qualification reports) and must be installed separately. The latest release can be found here
  • Full documentation of the (Re-)Qualification framework can be found here

Windows 11 support

Windows 11 is now officially supported by the OSP Suite.

Fixed issues and Improvements

PK-Sim

MoBi

PK-Sim and MoBi

Notes

  • The limitation of max. 5000 output time points per simulation was dropped. Now arbitrary number of output time points per simulation can be defined. This does not have influence on the simulation time but might have impact e.g. on the memory consumption or on the plotting time in charts.
    Thus, if you have old projects with very high output resolution - please check it (and adjust if required) before simulating
  • PDF reports (of simulations and building blocks) are not supported anymore.