DICP OpenIR
学科主题物理化学
MultiDA: Chemometric software for multivariate data analysis based on Matlab
Yang, Qianxu; Zhang, Liangxiao; Wang, Longxing; Xiao, Hongbin; Xiao HB(肖红斌)
关键词Chemometrics Software Matlab Multivariate Analysis Metabolomics/metabonomics Multi-model Comparison
刊名CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
2012-07-01
DOI10.1016/j.chemolab.2012.03.019
116页:1-8
收录类别SCI
文章类型Article
部门归属18
项目归属1804
产权排名1,1
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
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.
语种英语
WOS记录号WOS:000306043900001
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/118212
专题中国科学院大连化学物理研究所
通讯作者Xiao HB(肖红斌)
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,&肖红斌.(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.
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