Version 11.1.197

Installation

• Option 1 - install from scratch.

  • Windows: package (How to install)
  • Ubuntu 18: package (How to install)
  • CentOS 7: package (How to install)

• Option 2 - use docker images (NOTE: Version 11.0 is included; docker images for the version 11.1 not yet available)

  • R 3.6.3

    • Ubuntu 18
    • CentOS 7

  • R 4.1.0

    • Ubuntu 18
    • CentOS 7

Documentation

https://www.open-systems-pharmacology.org/OSPSuite-R/

New features

• Adds new visualization functions:

  • plotObservedVsSimulated() for observed versus simulated data scatter plot.
  • plotResidualsVsTime() for time versus residuals data scatter plot.
  • plotResidualsVsSimulated() for simulated versus residuals data scatter plot.

• Adds new helper functions to work with DataCombined objects:

  • convertUnits() to convert datasets in DataCombined to common units.
  • calculateResiduals() to calculate residuals for datasets in DataCombined.

Major Changes

• The class SimulationBatch gets a new property id.

• The output of runSimulationBatches() is now a named list with names being the ids of SimulationBatch.

• calculateResiduals() now uses log(base = 10) for calculation of residuals in logarithmic scale instead if log(base = exp(1))

• calculateResiduals() does also return residuals for entries where simulated or observed value is 0 in logarithmic scale. These values were ignored in previous versions. If the observed or simulated value is zero or negative, it is replaced by an arbitrary small value getOSPSuiteSetting("LOG_SAFE_EPSILON") (1e-20 by default).

Minor Changes

• SimulationBatch$addRunValues() will throw an error when any start value is NaN
• SimulatioBatch gets methods getVariableParameters() and getVariableMolecules() that return list of parameter resp. molecule paths that are defined variable.

Full Changelog: v11.0.123...v11.1.197