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Optimization

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BioUML has the opportunity to estimate the diagram parameters for minimizing a deviation of the diagram simulation results from the experimental datasets. These datasets represent the result of time courses expressed as exact or relative values of substance concentrations and can be found in the literature or generated by BioUML. The optimization plug-in supports some different methods attempting to minimize the objective function, which is the sum of the squares of the distances between the simulation results and the experimental dots, taking into account the mean-square weighted criterion.

 

Implement the following steps to start optimization.

Create the optimization document.
Select the optimization method and specified its parameters.
Indicate parameters to fit.
Create additional parameter constraints if necessary.
Specified experimental data.
Indicate one of the available solvers in "Simulation" tab of the optimization document.
Click on the "Start" button of the document "Method" tab.