优化星座聚类法和有机氟农药构效关系识别

被引:2
作者
陈曦
王丽君
胡上序
林学圃
吴军
机构
[1] 浙江大学化工系
[2] 浙江化工研究院
关键词
星座图; 参数组合; 农药; 化学污染物; 权值优化; 有机氟; 特征参数; 聚类; 疏水参数; 构效关系;
D O I
暂无
中图分类号
S11 [农业数学];
学科分类号
09 ;
摘要
Since the study of organic fluorinated pesticides has been a noticeable field in the seaking of efficient pesticides, the research of their structure-activity relationships be-comes more and more important. If the structure features of the chemicals are consid-ered as pattern parameters, and the activities of pesticides are discretized into classes,then the quantitative structure-activity relationship (QSAR) problem can be treated by cluster analysis. Hence, the clustering method of constellation graph is employed to identify the QSAR of fluorinated organic pesticides. In order to obtain better clustering results, the weights of star-tracks are optimized by the Lagrange operator method and good results are achieved.
引用
收藏
页码:135 / 142
页数:8
相关论文
共 2 条
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实用多元统计分析.[M].方开泰编著;.华东师范大学出版社.1989,
[2]  
药物结构与活性的关系.[M].[日]结构—活性关系座谈会 编;徐景达等 译.人民卫生出版社.1987,