摘要
选用化合物分子拓扑学的信息理论指数、价分子连接性指数，运用多元非线性回归分析，对１１４种有机磷农药大鼠经口、小鼠经口及大鼠经皮急性毒性ＬＤ５０、神经毒性作用进行了定量预测分析。回归模型相关指数Ｒ２均在０．８１以上，残差呈正态分布，预测效果满意，显示了系统具有较强的预测能力。
Acute toxicities and neurotoxicites of 114 organophosphorus pestici-des administered to mouse and rat P.O.and to rat P.C.were analvzed with in-formation theoretic indices of chemical topology, valence molecular connectivity indices,multiply non-liner regression analysis. The correlation indices of quantita-tive predicted regression model R is above 0.81.Residual sbowed the normal distri-bution.The above result indicated that the prediction is satisfied and showed strong predictability of the system.
出处
《重庆环境科学》
1995年第3期29-33,共5页
Chongqing Environmental Science
关键词
结构活性关系
毒性
预测
模型
有机磷农药
Structure-activity relationship Information theortic indices Valence molecular connectivity indicesces Multivariate regression analysis
