MultiDA: Chemometric software for multivariate data analysis based on Matlab

	MultiDA: Chemometric software for multivariate data analysis based on Matlab
	Yang, Qianxu; Zhang, Liangxiao; Wang, Longxing; Xiao, Hongbin
刊名	chemometrics and intelligent laboratory systems
	2012-07-01
卷号	116 页码:1-8
关键词	Chemometrics software Matlab Multivariate analysis Metabolomics/metabonomics Multi-model comparison
通讯作者	肖红斌
产权排序	1,1
英文摘要	multivariate data analysis (multida), a user-friendly interface chemometric software, is developed for the routine metabolomics/metabonomics data analysis. there are mainly two advantages for multida. first, it could simultaneously provide multiply methods for data preprocessing and multivariate analysis. the main chemometric methods in multida contains k-means cluster analysis, k-medoid cluster analysis, hierarchical cluster analysis (hca), principal component analysis (pca), robust principal component analysis (ropca), non-linear pca (nlpca), non-linear iterative partial least squares (nipals), simpls, discriminate analysis (da). canonical discriminate analysis (cda), stepwise discriminate analysis (sda), uncorrelated linear discriminate analysis (ulda) and some data preprocessing methods, such as standardization, outlier detection, genetic algorithm for feature selection (gafs), orthogonal signal correction (osc), weight analysis (weight) etc. second, multi-model comparison could be conducted to obtain the best outcome. moreover, this software is available for free. (c) 2012 elsevier b.v. all rights reserved.
学科主题	物理化学
WOS标题词	science & technology ; technology ; physical sciences
类目[WOS]	automation & control systems ; chemistry, analytical ; computer science, artificial intelligence ; instruments & instrumentation ; mathematics, interdisciplinary applications ; statistics & probability
研究领域[WOS]	automation & control systems ; chemistry ; computer science ; instruments & instrumentation ; mathematics
关键词[WOS]	principal component analysis ; least-squares regression ; discriminant-analysis ; genetic algorithms ; calibration ; validation ; selection ; tool ; pls
收录类别	SCI
语种	英语
WOS记录号	WOS:000306043900001
公开日期	2013-10-11
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/118212]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Yang, Qianxu,Zhang, Liangxiao,Wang, Longxing,et al. MultiDA: Chemometric software for multivariate data analysis based on Matlab[J]. chemometrics and intelligent laboratory systems,2012,116:1-8.
APA	Yang, Qianxu,Zhang, Liangxiao,Wang, Longxing,&Xiao, Hongbin.(2012).MultiDA: Chemometric software for multivariate data analysis based on Matlab.chemometrics and intelligent laboratory systems,116,1-8.
MLA	Yang, Qianxu,et al."MultiDA: Chemometric software for multivariate data analysis based on Matlab".chemometrics and intelligent laboratory systems 116(2012):1-8.