| 有机磷农药毒性预测模型研究 |
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| 引用本文： | 宋瑞琨,林琼芳.有机磷农药毒性预测模型研究[J].重庆环境科学,1995,17(3):29-33. |
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| 作者姓名： | 宋瑞琨 林琼芳 |
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| 作者单位： | 同济医科大学环境医学研究所 |
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| 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Ｒ＾２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。
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| 关 键 词： | 结构活性关系 毒性 预测 模型 有机磷农药 |
FORECASTING MODELS OF TOXICITY OF ORGANOPHOSPHORUS PESTICIDE |
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| Peng Ji,Song Ruikun, Lin Qiongfang.FORECASTING MODELS OF TOXICITY OF ORGANOPHOSPHORUS PESTICIDE[J].Chongqing Environmental Science,1995,17(3):29-33. |
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| Authors: | Peng Ji Song Ruikun Lin Qiongfang |
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| Abstract: | 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. |
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| Keywords: | Structure-activity relationship Information theortic indices Valence molecular connectivity indicesces Multivariate regression analysis |
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