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题名: Application of artificial neural networks for prediction of the retention indices of alkylbenzenes
作者: Zhang, RS(张瑞生); Yan, AX; Liu, MC; Liu, H; Hu, ZD(胡之德)
收录类别: SCIE
出版日期: 1999-01-18
会议名称: 1st International Conference on Chemometrics in China (1stCCC)
会议日期: OCT 17-23, 1997
会议地点: ZHANGJIAJIE, PEOPLES R CHINA
英文摘要: Artificial neural networks (ANN) with extended delta-bar-delta (EDBD) learning algorithms were used to predict the retention indices of alkylbenzenes. The data used in this paper include 96 retention indices of 32 alkylbenzenes on three different stationary phases. Four parameters: temperature, boiling point, molar volume and the kind of stationary phase, were used as input parameters. These three stationary phases are: PEG, SE-30, SQ. The 96 group data were randomly divided into two sets: a training set (including 64 group data) and a testing set (including 32 group data). The structures of networks and the learning times were optimized. The best network structure is 4-7-1. The optimum number of learning time is about 20 000. It is shown that the maximum relative error is no more than 3%. The result illustrated that the prediction performance of ANN in the field of investigating the retention behaviors of alkylbenzenes is very satisfactory. (C) 1999 Elsevier Science B.V. All rights reserved.
关键词: artificial neural network (ANN) ; extended delta-bar-delta (EDBD) ; retention index ; stationary phases
作者部门: Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China
通讯作者: Hu, ZD (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
学科分类: Automation & Control Systems; Chemistry; Computer Science; Instruments & Instrumentation; Mathematics
会议录: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
期号: 1-2
页码: 113-120
出版者: ELSEVIER
出版地: AMSTERDAM
语种: 英语
DOI: 10.1016/S0169-7439(98)00095-1
ISSN号: 0169-7439
WOS记录号: WOS:000078497200013
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内容类型: 会议论文
URI标识: http://ir.lzu.edu.cn/handle/262010/113143
Appears in Collections:化学化工学院_会议论文

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Recommended Citation:
Zhang, RS,Yan, AX,Liu, MC,et al. Application of artificial neural networks for prediction of the retention indices of alkylbenzenes[C]. 见:1st International Conference on Chemometrics in China (1stCCC). ZHANGJIAJIE, PEOPLES R CHINA. OCT 17-23, 1997.
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