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Fitting in kinetic ODE's
Uses Python 'minimize' in a system of ODE's.
2024.Jul.03 19:20:07
File to upload (Optional) Such as dataFitKinet.xlsx (table of data)
Data table Data (matrix or 'csv').
Initial guesses Initial guesses for the parameters sought.
Complementary Complementary constants.
Computation mode     Mode ("bounded" ≡ ¬ < 0), and termination tolerance.
Show values Show graph coordinates.

Performs a regression from given kinetic data ('Data table' or Excel), to find the underlying parameters, ki, i = 1..n (here, n = 4) in a set of multiple (here, 2) functions of a single (here, t, as usual) variable.

The embedded 2 ODE's are ODEs, with (c0, d0) = 0 and the complementary constants a0 and b0 (as given).

This is an application of the Python 'minimize' function, in the 'scipy.optimize' module, a part of the Python 'SciPy' library.

Alternative (upload-download Excel) "experimental" data, from the base data:  (a) "improved" from the optimized values; and (b) "perturbed" (random) from previous, ±10%.

Advantage is taken from: PHP, for the web page; Python for the numerical segment; and 'gnuplot', for plotting.

Draws a plot of the original and the adjusted data.


Computation structure — A PHP file (this page: 'P-fitKinet.php') calls (via 'action=...') an intermediate PHP file ('FitKinet.php'), which (through $_POST) sends the problem data as command line arguments to a Python script. This last does the computing, and makes 'system' call(s) to 'gnuplot', for the final (temporary) webpage.

Files involved: P-curFitODE.php (this one), CurFitODE.php, curFitODE.py.

Keywords: PHP, command line arguments, Python script, gnuplot.

References: Plate: FitKinet

• (Wikipedia) PHP (from Personal Home Page)

• From "Parameter Estimation for a Chemical Reaction" (Maplesoft) Reported (nonnegative): k = (0.0632294, 0.0186954, 0.0144413, 0.)

• Python minimize [in Optimization and root finding (scipy.optimize)], accessed 12-Dec-2023.

• CISTI'2024, 19.ª Conferencia Ibérica de Sistemas y Tecnologías de Información (19.th Iberian Conference on Information Systems and Technologies), Salamanca (Spain), 25–28 June 2024.

• 1914-12-02: Dilworth, Robert Palmer (†1993-10-29, 78 yrs.)

 
 
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Created: 2023-12-02 — Last modified: 2024-05-21