| 基因表达式编程用于有机化合物的毒性预测 |
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| 引用本文： | 刘杨,孙晓丹,李新会,申琦.基因表达式编程用于有机化合物的毒性预测[J].平顶山学院学报,2014(2):68-70. |
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| 作者姓名： | 刘杨 孙晓丹 李新会 申琦 |
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| 作者单位： | 郑州大学化学与分子工程学院 |
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| 基金项目： | 国家自然科学基金(21175119) |
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| 摘 要： | 基因表达式编程方法(GEP)是一种新型的数据挖掘和建模工具,应用GEP方法对110个有机化合物的毒性进行了构效关系研究,并与人工神经网络(BP-ANN)和偏最小二乘(PLS)方法比较.结果发现,GEP方法的预测较好,且模型稳定.
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| 关 键 词： | 基因表达式编程 定量构效关系 毒性 |
Gene Expression Programming for Toxicity Prediction of Organic Compounds |
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| LIU Yang;SUN Xiaodan;LI Xinhui;SHEN Qi.Gene Expression Programming for Toxicity Prediction of Organic Compounds[J].Journal of Pingdingshan University,2014(2):68-70. |
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| Authors: | LIU Yang;SUN Xiaodan;LI Xinhui;SHEN Qi |
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| Institution: | LIU Yang;SUN Xiaodan;LI Xinhui;SHEN Qi;School of Chemistry and Molecular Engineering,Zhengzhou University; |
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| Abstract: | Gene expression programming（ GEP）,a relatively new evolutionary algorithm,can be used to data mining and modeling. In this paper,the GEP was applied to quantitative structure-activity relationship（ QSAR） analysis of toxicity prediction of organic compounds. The results were compared with those obtained by the artificial neural network and partial least squares. The comparison demonstrated that GEP is a useful tool for QSAR analysis and the models are steady. |
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| Keywords: | gene expression programming quantitative structure-activity relationship toxicity |
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