Use of a simulated annealing algorithm to fit compartmental models with an application to fractal pharmacokinetics.
J Pharm Pharm Sci
; 10(2): 168-79, 2007.
Article
in En
| MEDLINE
| ID: mdl-17706176
ABSTRACT
Increasingly, fractals are being incorporated into pharmacokinetic models to describe transport and chemical kinetic processes occurring in confined and heterogeneous spaces. However, fractal compartmental models lead to differential equations with power-law time-dependent kinetic rate coefficients that currently are not accommodated by common commercial software programs. This paper describes a parameter optimization method for fitting individual pharmacokinetic curves based on a simulated annealing (SA) algorithm, which always converged towards the global minimum and was independent of the initial parameter values and parameter bounds. In a comparison using a classical compartmental model, similar fits by the Gauss-Newton and Nelder-Mead simplex algorithms required stringent initial estimates and ranges for the model parameters. The SA algorithm is ideal for fitting a wide variety of pharmacokinetic models to clinical data, especially those for which there is weak prior knowledge of the parameter values, such as the fractal models.
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Collection:
01-internacional
Database:
MEDLINE
Main subject:
Algorithms
/
Models, Biological
Type of study:
Prognostic_studies
Language:
En
Journal:
J Pharm Pharm Sci
Journal subject:
FARMACIA
/
FARMACOLOGIA
Year:
2007
Document type:
Article