Comparison of different methods for variable selection | |
Xu L ; Zhang WJ | |
刊名 | analytica chimica acta
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2001 | |
卷号 | 446期号:1-2页码:477-483 |
关键词 | GA STRATEGY ORGANIC-COMPOUNDS NEURAL NETWORKS QSAR REGRESSION PROPERTY PLS ALGORITHMS BOUNDS LEAPS |
ISSN号 | 0003-2670 |
通讯作者 | xu l |
中文摘要 | in chemistry for chemical analysis of a multi-component sample or quantitative structure-activity/property relationship (qsar/qspr) studies, variable selection is a key step. in this study, comparisons between different methods were performed. these methods include three classical methods such as forward selection, backward elimination and stepwise regression; orthogonal descriptors; leaps-and-bounds regression and genetic algorithm. thirty-five nitrobenzenes were taken as the data set. from these structures quantum chemical parameters, topological indices and indicator variable were extracted as the descriptors for the comparisons of variable selections. the interesting results have been obtained. (c) 2001 elsevier science b.v. all rights reserved. |
收录类别 | SCI收录期刊论文 |
语种 | 英语 |
WOS记录号 | WOS:000172309400040 |
公开日期 | 2010-11-04 |
内容类型 | 期刊论文 |
源URL | [http://202.98.16.49/handle/322003/20483] ![]() |
专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
推荐引用方式 GB/T 7714 | Xu L,Zhang WJ. Comparison of different methods for variable selection[J]. analytica chimica acta,2001,446(1-2):477-483. |
APA | Xu L,&Zhang WJ.(2001).Comparison of different methods for variable selection.analytica chimica acta,446(1-2),477-483. |
MLA | Xu L,et al."Comparison of different methods for variable selection".analytica chimica acta 446.1-2(2001):477-483. |
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