Background:
The simple linear pharmakokinetic model could describe for
example the time-dependent concentrations of plasma and urine based on a
simple bolus application.
The Mathematical Model:
The underlying ordinary differential equation is
y1(t)t = -kiy1(t)
y2(t)t = kiy1(t) - k2y2(t)
with initial values y1(0)=D, the initial dose, and y2(0)=0. Parameters to be estimated, are the rate constants ki and k2, and the dose D. Experimental data are available for y1(t) and y2(t) for 13 time values between 1 min and 60 min. The lower index t denotes the time derivative of the concentrations y1(t) and y2(t).
The equations can be transformed into the Laplace space, and back-transformation is done internally,
y1(t) = D/(s + k1)
y2(t) = k1 D/((s+
k1) (s+k2))
Literature:
1. Heinzel G., Woloszczak R., Thomann P. (1993): TOPFIT 2.0:
Pharmacokinetic and Pharmacodynamic Data Analysis System, G. Fischer,
Stuttgart, Jena, New York
2. Schittkowski (2002):
Numerical Data Fitting in Dynamical Systems - A Practical Introduction with
Applications and Software,
Kluwer
Academic Publishers
Implementation:
The complete solution of a data fitting problem is described
in six
steps:
Results:
Then you would like to take a look at reports and graphs:
- parameter values
- experimental data versus fitting criterion
Model equations (or use your own favorite editor):
Measurement data (or use import function for text file or Excel):
Parameters, tolerances and start of a data fitting run:
Numerical results (computed by the least squares code DFNLP):
Report on parameter values, residuals, performance, etc. (or export to Word):
Experimental data versus fitting criterion (also available for Gnuplot):