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[两种用于设计空间重叠法和基于概率法开发的算法的比较]

[Comparison of two algorithms for development of design space-overlapping method and probability-based method].

作者信息

Shao Jing-Yuan, Qu Hai-Bin, Gong Xing-Chu

机构信息

Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

出版信息

Zhongguo Zhong Yao Za Zhi. 2018 May;43(10):2074-2080. doi: 10.19540/j.cnki.cjcmm.20180312.004.

Abstract

In this work, two algorithms (overlapping method and the probability-based method) for design space calculation were compared by using the data collected from extraction process of Codonopsis Radix as an example. In the probability-based method, experimental error was simulated to calculate the probability of reaching the standard. The effects of several parameters on the calculated design space were studied, including simulation number, step length, and the acceptable probability threshold. For the extraction process of Codonopsis Radix, 10 000 times of simulation and 0.02 for the calculation step length can lead to a satisfactory design space. In general, the overlapping method is easy to understand, and can be realized by several kinds of commercial software without coding programs, but the reliability of the process evaluation indexes when operating in the design space is not indicated. Probability-based method is complex in calculation, but can provide the reliability to ensure that the process indexes can reach the standard within the acceptable probability threshold. In addition, there is no probability mutation in the edge of design space by probability-based method. Therefore, probability-based method is recommended for design space calculation.

摘要

在本研究中,以党参提取过程收集的数据为例,比较了两种设计空间计算算法(重叠法和基于概率的方法)。在基于概率的方法中,模拟实验误差以计算达到标准的概率。研究了几个参数对计算得到的设计空间的影响,包括模拟次数、步长和可接受概率阈值。对于党参的提取过程,10000次模拟和0.02的计算步长可得到令人满意的设计空间。总体而言,重叠法易于理解,无需编写程序,通过几种商业软件即可实现,但在设计空间内操作时,过程评估指标的可靠性未得到体现。基于概率的方法计算复杂,但能提供可靠性,确保过程指标在可接受概率阈值内达到标准。此外,基于概率的方法在设计空间边缘不存在概率突变。因此,推荐使用基于概率的方法进行设计空间计算。

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