基于定量构效关系的药物检测研究

Research of Drug Detection Based on the Quantitative Structure-activity Relationship

定量构效关系以数学和统计学手段建立起化合物的化学结构与生物活性之间的定量关系。QSAR在化学与生物学之间架设起了一道桥梁。在探讨了几种定量构效关系方法的基础上,通过水杨酸镁的质量检测实验进行了应用分析,结果表明引入定量构效关系的实验分析结果可以起到补充、取长补短的效果,为建立更好的检测机制提供参考。这一研究对于化合物的分子结构性质数据的发展有一定的参考价值。

Quantitative structure-activity relationship is to use mathematical and statistical methods to build a compound quantitative relationship between the chemical structure and biological activity. QSAR builds up a bridge between chemistry and biology. In this paper, the methods for the quantitative structure-activity relationship were discussed, and the model was applied in quality testing experiment analysis of salicylic acid magnesium. The results show that the introduction of quantitative structure-activity relationship can have the effect of supplement and complement each other, provide reference for establishing better detection mechanism..