| BP网络预测胺类衍生物常压沸点 |
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| 引用本文： | 何琴,黄保军,张立科.BP网络预测胺类衍生物常压沸点[J].广州化工,2010,38(8):250-251. |
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| 作者姓名： | 何琴 黄保军 张立科 |
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| 作者单位： | 1. 许昌学院化学化工学院,河南,许昌,461000
2. 许昌学院表面微纳米材料研究所,河南,许昌,461000 |
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| 基金项目： | 河南省教育厅自然科学研究计划项目 |
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| 摘 要： | 论文采用误差反传前向人工神经网络模型,优选结构因子作为输入特征参数,对胺类衍生物的常压沸点进行预测,网络自相容能力和交叉检验结果良好。该方法还可作为对有机化合物构性关系研究及其它性质进行预测的一种有效手段。
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| 关 键 词： | 人工神经网络 构性关系 沸点 |
BP Network Prediction for Boiling Points of Amine Derevatives |
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| HE Qin,HUANG Bao-jun,ZHANG Li-ke.BP Network Prediction for Boiling Points of Amine Derevatives[J].GuangZhou Chemical Industry and Technology,2010,38(8):250-251. |
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| Authors: | HE Qin HUANG Bao-jun ZHANG Li-ke |
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| Affiliation: | 1 College of Chemistry and Chemical Engineering,Xuchang University,Henan Xuchang 461000;2 Institiute of Surface Micro and Nano Materials,Xuchang University,Henan Xuchang 461000,China) |
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| Abstract: | The neural network based on the back propagation algorithm was used to predict the boiling points of the amine derivatives.The self-consistency test and the cross-validation test obtained good results when using the physical property parameters about structure as the inputs.This method was proved to be effective on predicting other important properties of organics. |
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| Keywords: | artifical neural network QSPR boiling point |
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