| 神经网络用于杀虫剂4－ROMS的QSAR研究 |
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| 引用本文： | 贺黎明,钱旭红. 神经网络用于杀虫剂4－ROMS的QSAR研究[J]. 计算机与应用化学, 1996, 0(2) |
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| 作者姓名： | 贺黎明 钱旭红 |
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| 作者单位： | 华东理工大学物理系，华东理工大学农用化学品研究所 |
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| 摘 要： | 用神经网络方法研究了杀虫剂４－ＲＯＭＳ的结构与抗家蝇ＭｕｓｃａｄｏｍｅｓｔｉｃａＬ．活性的定量关系．采用优化的神经网络和ｌｅａｖｅ－ｏｎｅ－ｏｕｔ方法预报了系列化合物的生物活性，从线性回归分析和神经网络方法的比较可以看出神经网络优于传统方法．
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| 关 键 词： | 杀虫剂，神经网络，回归分析，预报 |
QSAR STUDY OF PESTICIDE 4-ROMS USING NEURAL NETWORK APPROACH |
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| He Liming. QSAR STUDY OF PESTICIDE 4-ROMS USING NEURAL NETWORK APPROACH[J]. Computers and Applied Chemistry, 1996, 0(2) |
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| Authors: | He Liming |
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| Abstract: | The quantitative relationship betreen 4-substitute 2-methoxy-1,3,2-oxazaphospholidine 2-sulfides(4-ROMS) and their insecticidal activity on the house fly Musca domestica L. was analysed using neural network. An optimized neural network was used to the predict of biological activities of the derivants by the leave-one-out procedure. The comparison betreen linear regression analysis and the neural network approach suggests that the neural network can outperform traditional method. |
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| Keywords: | Pesticide Neural network Regression analysis Prediction |
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