化学计量学方法在制剂提取工艺与处方优化中的应用

Application of chemometrics in the optimization of extraction conditions and prescription formulations in pharmaceutical preparations

目的介绍试验设计-建模与优化方法在制剂研究中的重要作用。方法通过对国内外发表的关于制剂提取工艺及处方优化方面的诸多文献进行归纳、总结,明确试验设计-建模与优化方法在制剂研究中的重要作用,并简评其最新应用进展。结果对制剂研究中面临的一些复杂优化问题,试验设计-建模与优化方法能够依据试验设计方法,科学合理地安排试验点,并通过建模,将试验结果与影响因素之间隐藏的内在规律用数学模型抽象化地表达出来,进而通过对数学模型的优化研究,找到最优的结果及条件以解决这些复杂优化问题。结论随着研究水平的不断提高以及多学科交叉的日益深入,制剂研究中将面临着更多的多因素、多水平的复杂的优化问题,而试验设计-建模与优化方法也必将在制剂研究中得到更为广泛的应用。

Objective To illustrate the importance of chemometrics tools（experimental design combined with modeling and optimization） in the study on pharmaceutical preparations.Methods A wide range of publications associated with extraction condition and prescription optimizations were reviewed.It was found that the combined optimization methodology mentioned above played a very important role in the study of pharmaceutical preparations.Results The methodology based on the combination of experimental design,modeling and optimization,was a very effective tool for solving the complex optimization problems in pharmaceutical studies.With the help of experimental design,all experimental points could be arranged scientifically and reasonably,and thus in turn,only a minimal of experimental points were required;with the assist of mathematical modeling,the immanence disciplines between the experimental results and its corresponding experimental factors could be abstractively expressed and interpreted via mathematical model;with the aid of optimization,the optimal results as well as its corresponding conditions could be finally predicted.Conclusion With the rapid development of pharmaceutical preparations and its integration with other cross-disciplines,there would be more and more complex nonlinear problems which could make a wider use of the proposed combined optimization methodology.