Pharmacokinetics computer programs

On some occasions, the body does not behave as a single homogeneous compartment, and multicompartment pharmacokinetics are required to describe the time course of drug concentrations. In other instances certain pharmacokinetic processes may not obey first-order kinetics and saturable or nonlinear models may be required. Additionally, advanced pharmacokinetic analyses require the use of various computer programs, such as those listed on the website http //www.boomer.org/pkin/soft.html. 

P. Veng-Pedersen, An algorithm and computer program for deconvolution in linear pharmacokinetics. J. Phar. Biopharm, 8 (1980) 463-481. 

Fung, E. N., Chu, I., and Nomeir, A. A. (2004). A computer program for automated data evaluation to support in vitro higher-throughput screening for drug metabolism and pharmacokinetics attributes. Rapid Commun. Mass Spectrom. 18 2046-2052. 

D Argenio, 0. Z. Schumitzky, A. "A Program for Simulation and Parameter Estimation in Pharmacokinetic Systems," Comput. Programs in Biomed., 1979, 9, 115-134. 

Even though computer programs now are used routinely for pharmacokinetic analysis, most require initial estimates of the model parameters. As a result of the least-squares fitting procedures employed, these computer programs generally yield the most satisfactory results when the technique of curve peeling is used to make reasonably accurate initial estimates of parameter values. 

In this case, a computer program employing a least-squares fitting algorithm was used to analyze that data in terms of the pharmacokinetic model shown... 

Other approaches have been used for more complex models. These include curve stripping or the method of residuals,either manually or using a computer program such as CSTRIP and ESTRIF. These techniques can separate a multiexponential curve into its component parts for initial estimates. Other techniques include deconvolution methods specific to the one and two compartment pharmacokinetic models. The objective of the deconvolution method is to mathematically subtract the results obtained after IV administration from the oral or extravascular data. This results in information about the input or absorption process alone. More general methods have been presented by various researchers that do not rely on a particular compartmental model. ... 

If it is necessary to determine the pharmacokinetic constants for a patient to individualize his or her dose, a small pharmacokinetic evaluation is conducted in the individual. Additionally, Bayesian computer programs that aid in the individualization of therapy are available for many different drugs. 

Byczkowski, J. Z., and Fisher, J. W. (1995). A computer program linking physiologically based pharmacokinetic model with cancer risk assessment for breast-fed infants. Comput Methods Programs Biomed 46, 155-163. 

Veng-Pedersen, R, Drug absorption evaluation in the presence of changes in clearance an algorithm and computer program for deconvolution with exact clearance correction, J. Pharmacokinet. Biopharm., 8 185-203, 1987. 

Helping to develop and implement in-house pharmacokinetic computer modeling and statistical analysis programs within the Biopharmaceutics Department of Chemical Affairs. 

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