Systems Analysis at the Molecular Scale
Systems Analysis at the Molecular Scale
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DOI：
10.1126/science.246.4927.221
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发表时间：
1989-10
期刊：
影响因子：
56.9
通讯作者：
H. Rabitz
中科院分区：
文献类型：
--
作者：
H. Rabitz
涉及微观和宏观尺度上的物理化学现象的问题往往会提出类似的一般问题。这些问题的复杂性使得传统的基于直觉的分析和解决方法开始失效。大的，多变量的，复杂的分子系统的共同特点要求一个新的，更系统的方法来指导理论和实验工作。随着数学建模成为研究中的一个重要组成部分，有人认为，分子系统分析，特别是灵敏度分析的系统工具，可以发挥越来越重要的作用，在理解和寻找解决复杂的，化学为基础的问题。
Problems involving physiochemical phenomena on both the microscopic and macroscopic scales often raise similar sets of generic issues and questions. The complexity of these problems is beginning to make inoperative the traditional intuition-based approaches to their analysis and solution. The common characteristics of large, multivariable, complex molecular systems call for a new, more systematic approach to guide theoretical and experimental efforts. With mathematical modeling becoming an essential ingredient in the studies, it is argued that molecular systems analysis and especially the systematic tools of sensitivity analyis can play an increasingly important role in understanding and finding solutions to complex, chemically based problems.