论文部分内容阅读
星座图法是对复杂模式作聚类分析的一种简便有效方法,作者提出用拉格朗日乘子法对星座路径参数进行优化改进,比较了改进前后的聚类效果,证实了改进后的星座图法不仅具有理论优势,也具有应用价值.最后将星座图法应用于有机氟农药构效关系识别,取得了良好的活性分类结果。
The constellation method is a simple and effective method for clustering analysis of complex patterns. The author proposes that the constellation path parameters are optimized and improved by using Lagrange multiplier method, and the clustering effect before and after the improvement is compared, and the improved Constellation method not only has theoretical advantages, but also has application value. Finally, the constellation method is applied to identify the structure-activity relationship of organofluorine pesticides, and a good activity classification result has been obtained.