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多室线性系统和药代动力学中平均驻留时间的计算机评估。

Computerized evaluation of mean residence times in multicompartmental linear system and pharmacokinetics.

机构信息

Departamento de Ciencias Médicas, Facultad de Medicina, Universidad de Castilla-la Mancha, Albacete, Spain.

出版信息

J Comput Chem. 2011 Apr 15;32(5):915-31. doi: 10.1002/jcc.21677. Epub 2010 Oct 19.

Abstract

Deriving mean residence times (MRTs) is an important task both in pharmacokinetics and in multicompartmental linear systems. Taking as starting point the analysis of MRTs in open or closed (Garcia-Meseguer et al., Bull Math Biol 2003, 65, 279) multicompartmental linear systems, we implement a versatile software, using the Visual Basic 6.0 language for MS-Windows, that is easy to use and with a user-friendly format for the input of data and the output of results. For any multicompartmental linear system of up to 512 compartments, whether closed or open, with traps or without traps and with zero input in one or more of the compartments, this software allows the user to obtain the symbolic expressions, in the most simplified form, and/or the numerical values of the MRTs in any of its compartments, in the entire system or in a part of the system. As far as we known from the literature, such a software has not been implemented before. The advantage of the present software is that it reduces on the work time needed and minimizes the human errors that are frequent in compartmental systems even those that are relatively staightforward. The software bioCelTer, along with instructions, can be downloaded from http://oretano.iele-ab.uclm.es/~fgarcia/bioCelTer/.

摘要

推导平均驻留时间(MRT)在药代动力学和多室线性系统中都是一项重要任务。从开放或封闭(Garcia-Meseguer 等人,Bull Math Biol 2003,65,279)多室线性系统中 MRT 的分析开始,我们使用 MS-Windows 下的 Visual Basic 6.0 语言实现了一款通用软件,该软件易于使用,并具有用户友好的格式,可用于输入数据和输出结果。对于任何多达 512 个隔室的多室线性系统,无论是封闭的还是开放的,无论是有陷阱的还是没有陷阱的,以及在一个或多个隔室中存在零输入,该软件都允许用户以最简化的形式获得符号表达式,和/或在整个系统或系统的一部分中,在任何隔室中获得 MRT 的数值。就我们从文献中了解到的情况而言,以前尚未实现这样的软件。本软件的优势在于它减少了所需的工作时间,并最大限度地减少了在房室系统中经常出现的人为错误,即使是那些相对简单的系统也是如此。bioCelTer 软件以及说明可以从 http://oretano.iele-ab.uclm.es/~fgarcia/bioCelTer/ 下载。

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