苯甲酰环己二酮类除草剂的QSAR研究  

QSAR Study of the Benzoylcyclhexanedions

作　　者：黄美兰[1] 宁宝柱[2] 杜凌[2] 商志才[1] 

机构地区：[1]浙江大学化学系,浙江杭州310027 [2]北京科技大学应用科学院化学系,北京100083

出　　处：《计算机与应用化学》2002年第4期519-520,共2页Computers and Applied Chemistry

摘　　要：对苯甲酰环己二酮类除草剂进行了多元线性回归及BP人工神经网络研究,结果表明电荷转移复合作用是影响其除草活性的主要因素。苯环2位是拉电子基,3位是给电子基有利于提高除草活性。Classical Hansch QSAR and BP neural networks were used to study the herbicidal activity of benzoylcyclohexanedions. It was suggested that the compounds complex with the receptor through electrastatic interaction. Electron - withdrawing 2 - sub-stituents and electron - donating 3 - substituents of the phenyl ring are favorable for increased herbicidal activity.

关 键 词：除草剂 QSAR 苯甲酰环己二酮 线性回归 BP神经网络 除草活性 结构 定量构效关系 

分 类 号：TQ457.2[化学工程—农药化工] TQ450.11