Thakker K M, Wood J H, Mikulecky D C
Comput Programs Biomed. 1982 Aug;15(1):61-72. doi: 10.1016/0010-468x(82)90056-3.
The electrical circuit simulation program SPICE2 is used to perform computer simulations of linear and non-linear pharmacokinetic systems. This is achieved by applying novel network thermodynamic principles which make use of the analogy between the conservation laws of chemical reactions and mass transport and Kirchoff's laws of current and voltage balance for electrical circuits. A simple description of program input for general pharmacokinetic simulation as well as simulation of complex pharmacokinetic and physiologic phenomena such as single and multiple divided daily dosing, Michaelis--Menten kinetics, gastric emptying cycle, drug resorption and linear and non-linear drug protein binding is provided. Drug concentrations or amounts in different compartments are graphically obtained or tabulated as time functions. The economy of time and effort afforded by this program is illustrated by simulating the metabolism and accumulation kinetics of salicylic acid on single and repeated divided dosing. The advantages of SPICE2 over other available simulation packages and its educational value as a teaching and research tool are discussed.
电路模拟程序SPICE2用于对线性和非线性药代动力学系统进行计算机模拟。这是通过应用新颖的网络热力学原理来实现的，该原理利用了化学反应和质量传输的守恒定律与电路的基尔霍夫电流和电压平衡定律之间的类比。文中提供了一般药代动力学模拟的程序输入的简单描述，以及对复杂药代动力学和生理现象（如单次和多次每日分次给药、米氏动力学、胃排空周期、药物吸收以及线性和非线性药物蛋白结合）的模拟。不同隔室中的药物浓度或量以时间函数的形式通过图形方式获得或制成表格。通过模拟水杨酸单次和重复分次给药的代谢和蓄积动力学，说明了该程序在节省时间和精力方面的优势。讨论了SPICE2相对于其他现有模拟软件包的优点及其作为教学和研究工具的教育价值。
