Sumner L W,Mendes P,Dixon R A.Plant metabolomics: large-scale phytochemistry in the functional genomics era[J].Phytochemistry,2003,62 (6): 817.
[2]
Vallejo M,Angulo S,Garcia-Martinez D A,et al.New perspective of diabetes response to an antioxidant treatment through metabolic fingerprinting of urine by capillary electrophoresis[J].J Chromatogr A,2008,1187: 267.
[3]
Lindon J C,Keun H C,Ebbels T M D,et al.The consortium for metabonomic toxicology (COMET): aims,activities and achievements[J].Pharmacogenomics,2005,6(7): 69l.
[4]
Keun H C.Metabonomic modeling of drug toxicity[J].Pharmacol & Therapeut,2006,109(1/2): 92.
[5]
Rochfort S.Metabolomics reviewed: a new ″omics″ platform technology for systems biology and implications for natural products research[J] J Nat Prod,2005,68(12): 1813.
[6]
Chen M J,Zhao L P,Jia W J.Metabolomic study on the biochemical profiles of a hydrocortisone induced animal model[J].Proteome Res,2005,4(6): 2391.
[7]
Catchpole G S,Beckmann M,Enot D P,et al.Hierarchical metabolomics demonstrates substantial compositional similarity between genetically modified and conventional potato crops[J].Proc Natl Acad Sci USA,2005,102(40): 14458.
[8]
Chen M J,Su M M,Zhao L P,et al.Metabonomic study of aristolochic acid-induced nephrotoxicity in rats[J].Proteome Res,2006,5(4): 995.
[9]
Castle A L,Carver M R,Mendriek D L.Toxicogenomics: a new revolution in drug safety[J].Drug Discov[J].Today,2002,7(13): 728.
[10]
Clayton T A,Lindon J C,Cloaree O,et al.Pharmacometabonomic phenotyping and personalized drug treatment[J].Nature,2006,440(7087): 1073.
Allen J,Daveyh M,Broadhurst D,et a1.Discrimination of modes of action of antifungal substances by use of metabolic footprinting[J].Nature Biotechnol,2003,21(6): 692.
[13]
Boulesteix A,Strimmer K.Partial least squares: a versatile tool for the analysis of high-dimensional genomic data[J].Brief Bioinform,2007 (8): 32.
[14]
Scholkopf B,Tsuda K,Vert J P.Kernel Methods in computational biology[M].Cambridge:MIT Press,2004:511.
[15]
Shawe-Taylor J,Cristianini N.Kernel methods for pattern analysis[M].Cambridge:Cambridge University Press,2004:5111.
[16]
Soga T K,akazu Y J,Robert M,et al.Qualitative and quantitative analysis of amino acids by capillary electrophoresis electrospray ionizationt and emmass spectrometry[J].Electrophoresis,2004,25(13):1964.
[17]
Reynolds W F,Enriquez R G.Choosing the best pulse sequences acquisition parameters postacquisition processing strategies and probes for natural product structure elucidation by NMR spectroscopy[J].J Nat Prod,2002,65(2):221.
[18]
Xia J G,Bjorndahl T C,Tang P,et al.MetaboMiner-semi-automated identification of metabolites from 2D NMR spectra of complex biofluids[J].BMC Bioinformat,2008,9:507.
[19]
Cloarec O,Dumas M,Craig A,et al.Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H-NMR data sets[J].Anal Chem,2005,77(5):1282.
[20]
Crockford D J,Holmes E,Lindon J C,et al.Statistical heterospectroscopy,an approach to the integrated analysis of NMR and UPLC-MS data sets: application in metabonomic toxicology studies[J].Anal Chem,2006,78(2):363.
[21]
Griffin J L,Cemal C K,Pook M A.Defining a metabolic phenotype in the brain of a transgenic mouse model of spinocerebellar ataxia[J].Physiol Gen,2004,16(3):334.
[22]
Yin P Y,Zhao X J,Li Q R,et al.Metabonomicsstudy of intestinal fistulas based on ultraperformance liquid chromatography coupled with Q-TOF mass spectrometry (UPLC/Q-TOF/MS)[J].Proteome Res,2006,5(9): 2135.
[23]
Daykinc A,Corcoran O,Hansens H,et al.Application of directly coupled HPLC-NMR to separation and characterization of lipoproteins from human serum[J].Anal Chem,2001,73(6): 1084.
[24]
Lindon J C,Holmes E,Nicholson J K.So what is the deal with metabonomics[J].Anal Chem,2003,75(17): 384A.
[25]
Trygg J,Wold S.Orthogonal projections to latent structures(O-PLS)[J].J Chemometrics,2002,16(3): 119.
[26]
Trygg J.O-PLS for qualitative and quantitative analysis in multivariate calibration[J].Joumal of Chemometrics,2002,16(6): 283.
Woldsmh,Woldh.The multivariate calibration method in chemistry solved by the PLS method in proceeding on the conference on matrix pencils: lecture notes in mathematics.Heidelberg: Springer Verlag,1983: 286.
[29]
Bijlsmas,Bobeldijki,Verheijer,et al.Large-scale human metabolomics studies: a strategy for data (pre-)processing and validation[J].Anal Chem,2006,8(2): 567.
[30]
Nguyendv,Rockedm.Tumor classification by partial leasts quares using microarray gene expression data[J].Bioinformatics,2002,8(1): 39.
[31]
Wang C,Kong H,Guan Y,et al.Plasma phospholipid metabolic profiling and biomarkers of type 2 diabetes mellitus based on high performance liquid chromatography/electrospray mass spectrometry and multivariate statistical analysis[J].Anal Chem,2005,7(13): 4108.
[32]
Wang Y,Holmes E,Nicholson J K,et al.Metabonomic investigations in mice infected with Schist soma man son: an approach for biomarker identification[J].Proc Natl Acad Sci USA,2004,34(1): 12676.