Microcomputer programs for physiologically-based pharmacokinetic (PB-PK) modeling.

Abstract

Physiologically-based pharmacokinetic (PB-PK) models are each defined as a set of mathematical equations offering a fairly comprehensive time course of a chemical's disposition in several pre-selected anatomical compartments. Each of these compartments has its characteristic blood flow, volume, tissue-blood partition coefficient, and metabolic or clearance rate constants that together are deemed responsible for a chemical's disposition in that region. Numerous investigators have used these models to predict tissue dose in the animal or human body in recent years. This simulation technique, if proven effective, will eventually reduce the large number of animals that are required in the costly classic, in vivo studies to be conducted for chemical disposition or metabolism. This communication offers 2 affordable micro-computer programs which can be used as a practical simulation tool in further exploring the application of PB-PK modeling in chemical risk assessment. These 2 programs are written especially for investigators who prefer to have some appreciation of the required computer simulation first before committing themselves to using more advanced, expensive simulation software packages that are commercially available.