论文部分内容阅读
尝试在构效关系分析中引入新的数量化方法:林知己夫的准记量性多维标度(multi-dimensional scaling,MDS)法。并以芳氧基乙酰肼衍生物抑制单胺氧化酶的效率为例,说明该法的实现步骤和结果分析。该法的结果直观、生动,可以将样本分成明显的高活性区与低活性区,作为判别标准,可以在试验之前预测新样本化合物的活性,以指导新化合物的合成,为在药物分子设计中判断未知化合物的生物活性提供新思路。
Attempts to introduce a new quantitative method in the structure-activity relation analysis: Lin Zhifu’s quasi-merit multidimensional scaling (MDS) method. And to aryloxyacetylhydrazine derivatives inhibit the efficiency of monoamine oxidase as an example to illustrate the method to achieve the steps and result analysis. The results of this method are intuitive and vivid. The samples can be divided into obvious high activity areas and low activity areas. As a criterion, the activity of new sample compounds can be predicted before the experiment to guide the synthesis of new compounds. Judgment of the biological activity of unknown compounds provide new ideas.