| 人工神经网络及其在化学领域中的应用 |
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| 引用本文： | 陈锦言,姚芳莲,孙经武,许涌深,邓联东,周志莲.人工神经网络及其在化学领域中的应用[J].计算机与应用化学,1999,16(2):111-114,120. |
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| 作者姓名： | 陈锦言 姚芳莲 孙经武 许涌深 邓联东 周志莲 |
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| 作者单位： | 天津大学化工学院,天津,300072 |
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| 摘 要： | 简化了人工神经网络的定义及分类，着重介绍了ＡＮＮ中一种较经典的网络模型－ＢＰ网络模型的网络结构和学习原理，总结了ＡＮＮ在化学领域中的应用，包括谱图分析，药物分子等。同时讨论了在使用ＡＮＮ方法时应注意的几个问题，如隐层节点数目的确定等。
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| 关 键 词： | 神经网络 BP网络模型 |
ARTIFICIAL NEURAL NETWORK AND ITS APPLICATION IN CHEMISTRY |
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| CHEN Jin-Yan,YAO Fang-Lian,SUN Jing-Wu,XU Yong-Shen,DENG Lian-Dong,ZHOU Zhi-Lian.ARTIFICIAL NEURAL NETWORK AND ITS APPLICATION IN CHEMISTRY[J].Computers and Applied Chemistry,1999,16(2):111-114,120. |
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| Authors: | CHEN Jin-Yan YAO Fang-Lian SUN Jing-Wu XU Yong-Shen DENG Lian-Dong ZHOU Zhi-Lian |
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| Abstract: | The structure and algorithm of back propagation (BP) network, which is the most widely used artificial neural network, are discussed in this paper. Applications of ANN in chemistry, including spectrum analysis, pharmaceutical molecule structure activity relationships, structure prediction of protein, are reviewed. problems on the determination of the number of hidden layer nodes and over fitting are also discussed. |
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| Keywords: | Artificial neural network BP network model |
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