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Regina Maria

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Nov 11, 2021, 12:58:11 AMNov 11
to IQR Tools Users Group
I want to ask regarding IQM.. I want to do curve fitting for kinetic models like bellow:
dxdt.PNG
dsdt.PNG
dpdt.PNG
u.PNG
where the X vs t, S vs t, and P vs t are given, and I want to search for the parameters so that the curve from the experimental data fits with the curve from kinetic models. Initial concentration of X, S, and P are also given. Can the function of "IQMparamest" do this work? I have read the tutorial for fitting parameters but I could not comprehend because the example is a model with a lot of equations, where mine is just 3, but with many unknown parameters. Moreover, there is an amplitude in the example, where mine is not, which makes me confuse. Thank you in advance.

Henning Schmidt

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Nov 11, 2021, 1:14:14 AMNov 11
to Regina Maria, IQR Tools Users Group
Hi Regina,

Yes, that function would be able to do that.

The steps would be: 
  1. Implement your model in the IQMmodel format (explained in: https://iqmtools.intiquan.com/doc/01-IQM-Tools-Lite.zip). This means that you essentially just write the differential equations of your model in a slightly formatted text file (very detailed info in the material of the link).
  2. Implement your experimental data in the IQMmeasurement format (see https://iqmtools.intiquan.com/doc/03-IQM-Tools-Pro-Basic-PMX.zip) there is an example. For how it would look exactly would depend on the data that you have.
  3. Implement the experimental settings in IQRexperiment format  (see https://iqmtools.intiquan.com/doc/03-IQM-Tools-Pro-Basic-PMX.zip) there is an example. For how it would look exactly would depend on the data that you have.
  4. Continue following the example in the same documentation .... building a project and doing the estimation. Yes, the example is slightly bigger but the approach you would need to take follows along the exact same lines.
You might also want to have a look into IQR Tools. I know I know ... when doing MATLAB for a long time it is hard to convert to R - was there myself. IQR Tools allows an identical syntax for models as IQM Tools does. The data format for experimental data is simplified and the contained parameter estimation approach is the best you can find and thus also far better than the one in IQM Tools.

Hope that helps a little,
Henning




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Henning Schmidt, PhD
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