메뉴 건너뛰기




Volumn 29, Issue 10, 2015, Pages 528-536

Comparison of the variable importance in projection (VIP) and of the selectivity ratio (SR) methods for variable selection and interpretation

Author keywords

Partial least squares; Selectivity ratio; Variable importance in projection; Variable selection

Indexed keywords

CHROMATOGRAPHIC ANALYSIS; GAS CHROMATOGRAPHY; LEAST SQUARES APPROXIMATIONS; MASS SPECTROMETRY; OCEANOGRAPHY; SURFACE WATERS; WATER QUALITY;

EID: 84943366974     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.2736     Document Type: Article
Times cited : (445)

References (42)
  • 1
    • 0000547160 scopus 로고
    • Principal component regression in NIR analysis: viewpoints, background details and selection of components
    • Næs T, Martens H. Principal component regression in NIR analysis: viewpoints, background details and selection of components. J. Chemometr. 1988; 2(2): 155-167.
    • (1988) J. Chemometr. , vol.2 , Issue.2 , pp. 155-167
    • Næs, T.1    Martens, H.2
  • 2
    • 11144325691 scopus 로고
    • Partial least-squares regression: a tutorial
    • Geladi P, Kowalski BR. Partial least-squares regression: a tutorial. Anal. Chim. Acta 1986; 185(0): 1-17.
    • (1986) Anal. Chim. Acta , vol.185 , pp. 1-17
    • Geladi, P.1    Kowalski, B.R.2
  • 5
    • 78650649260 scopus 로고    scopus 로고
    • Variable selection in regression-a tutorial
    • Andersen CM, Bro R. Variable selection in regression-a tutorial. J. Chemometr. 2010; 24(11-12): 728-737.
    • (2010) J. Chemometr. , vol.24 , Issue.11-12 , pp. 728-737
    • Andersen, C.M.1    Bro, R.2
  • 6
  • 8
  • 10
    • 0038620211 scopus 로고    scopus 로고
    • Prediction of clinical outcome with microarray data: a partial least squares discriminant analysis (PLS-DA) approach
    • Pérez-Enciso M, Tenenhaus M. Prediction of clinical outcome with microarray data: a partial least squares discriminant analysis (PLS-DA) approach. Hum. Genet. 2003; 112(5-6): 581-592.
    • (2003) Hum. Genet. , vol.112 , Issue.5-6 , pp. 581-592
    • Pérez-Enciso, M.1    Tenenhaus, M.2
  • 11
    • 27344436232 scopus 로고    scopus 로고
    • Predictors of primary breast cancers responsiveness to preoperative Epirubicin/Cyclophosphamide-based chemotherapy: translation of microarray data into clinically useful predictive signatures
    • Modlich O, Prisack H-B, Munnes M, Audretsch W, Bojar H. Predictors of primary breast cancers responsiveness to preoperative Epirubicin/Cyclophosphamide-based chemotherapy: translation of microarray data into clinically useful predictive signatures. J. Transl. Med. 2005; 3(1): 32.
    • (2005) J. Transl. Med. , vol.3 , Issue.1 , pp. 32
    • Modlich, O.1    Prisack, H.-B.2    Munnes, M.3    Audretsch, W.4    Bojar, H.5
  • 12
    • 84875228412 scopus 로고    scopus 로고
    • Classification of oat and groat kernels using NIR hyperspectral imaging
    • Serranti S, Cesare D, Marini F, Bonifazi G. Classification of oat and groat kernels using NIR hyperspectral imaging. Talanta 2013; 103(0): 276-284.
    • (2013) Talanta , vol.103 , pp. 276-284
    • Serranti, S.1    Cesare, D.2    Marini, F.3    Bonifazi, G.4
  • 14
    • 33644835571 scopus 로고    scopus 로고
    • High performance liquid chromatography-mass spectrometry for metabonomics: potential biomarkers for acute deterioration of liver function in chronic hepatitis B
    • Yang J, Zhao X, Liu X, Wang C, Gao P, Wang J, Li L, Gu J, Yang S, Xu G. High performance liquid chromatography-mass spectrometry for metabonomics: potential biomarkers for acute deterioration of liver function in chronic hepatitis B. J. Proteome Res. 2006; 5(3): 554-561.
    • (2006) J. Proteome Res. , vol.5 , Issue.3 , pp. 554-561
    • Yang, J.1    Zhao, X.2    Liu, X.3    Wang, C.4    Gao, P.5    Wang, J.6    Li, L.7    Gu, J.8    Yang, S.9    Xu, G.10
  • 15
    • 4444277106 scopus 로고    scopus 로고
    • Time-resolved QSAR: an approach to PLS modelling of three-way biological data
    • Eriksson L, Gottfries J, Johansson E Wold S. Time-resolved QSAR: an approach to PLS modelling of three-way biological data. Chemometr. Intell. Lab. Syst. 2004; 73(1): 73-84.
    • (2004) Chemometr. Intell. Lab. Syst. , vol.73 , Issue.1 , pp. 73-84
    • Eriksson, L.1    Gottfries, J.2    Johansson, E.3    Wold, S.4
  • 16
    • 84929944075 scopus 로고    scopus 로고
    • Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318)
    • Farrés M, Martrat B, Mol BD, Grimalt JO, Tauler R. Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318). Anal. Chim. Acta 2015; 879(0): 1-9.
    • (2015) Anal. Chim. Acta , vol.879 , pp. 1-9
    • Farrés, M.1    Martrat, B.2    Mol, B.D.3    Grimalt, J.O.4    Tauler, R.5
  • 17
    • 84905749753 scopus 로고    scopus 로고
    • Variable influence on projection (VIP) for orthogonal projections to latent structures (OPLS)
    • Galindo-Prieto B, Eriksson L Trygg J. Variable influence on projection (VIP) for orthogonal projections to latent structures (OPLS). J. Chemometr. 2014; 28: 623-632.
    • (2014) J. Chemometr. , vol.28 , pp. 623-632
    • Galindo-Prieto, B.1    Eriksson, L.2    Trygg, J.3
  • 18
  • 19
    • 77954380128 scopus 로고    scopus 로고
    • A multivariate approach to reveal biomarker signatures for disease classification: application to mass spectral profiles of cerebrospinal fluid from patients with multiple sclerosis
    • Rajalahti T, Kroksveen AC, Arneberg R, Berven FS, Vedeler CA, Myhr K-M, Kvalheim OM. A multivariate approach to reveal biomarker signatures for disease classification: application to mass spectral profiles of cerebrospinal fluid from patients with multiple sclerosis. J. Proteome Res. 2010; 9(7): 3608-3620.
    • (2010) J. Proteome Res. , vol.9 , Issue.7 , pp. 3608-3620
    • Rajalahti, T.1    Kroksveen, A.C.2    Arneberg, R.3    Berven, F.S.4    Vedeler, C.A.5    Myhr, K.-M.6    Kvalheim, O.M.7
  • 20
    • 84875117599 scopus 로고    scopus 로고
    • Identification of discriminatory variables in proteomics data analysis by clustering of variables
    • Karimi S, Hemmateenejad B. Identification of discriminatory variables in proteomics data analysis by clustering of variables. Anal. Chim. Acta 2013; 767(0): 35-43.
    • (2013) Anal. Chim. Acta , vol.767 , pp. 35-43
    • Karimi, S.1    Hemmateenejad, B.2
  • 21
    • 64849110688 scopus 로고    scopus 로고
    • Discriminating variable test and selectivity ratio plot: quantitative tools for interpretation and variable (biomarker) selection in complex spectral or chromatographic profiles
    • Rajalahti T, Arneberg R, Kroksveen AC, Berle M, Myhr K-M, Kvalheim OM. Discriminating variable test and selectivity ratio plot: quantitative tools for interpretation and variable (biomarker) selection in complex spectral or chromatographic profiles. Anal. Chem. 2009; 81(7): 2581-2590.
    • (2009) Anal. Chem. , vol.81 , Issue.7 , pp. 2581-2590
    • Rajalahti, T.1    Arneberg, R.2    Kroksveen, A.C.3    Berle, M.4    Myhr, K.-M.5    Kvalheim, O.M.6
  • 22
    • 84871519393 scopus 로고    scopus 로고
    • Predictive-property-ranked variable reduction in partial least squares modelling with final complexity adapted models: comparison of properties for ranking
    • Andries JPM, Heyden YV, Buydens LMC. Predictive-property-ranked variable reduction in partial least squares modelling with final complexity adapted models: comparison of properties for ranking. Anal. Chim. Acta 2013; 760(0): 34-45.
    • (2013) Anal. Chim. Acta , vol.760 , pp. 34-45
    • Andries, J.P.M.1    Heyden, Y.V.2    Buydens, L.M.C.3
  • 23
    • 84906770741 scopus 로고    scopus 로고
    • Interpretation of variable importance in partial least squares with significance multivariate correlation (sMC)
    • Tran TN, Afanador NL, Buydens LMC, Blanchet L. Interpretation of variable importance in partial least squares with significance multivariate correlation (sMC). Chemometr. Intell. Lab. Syst. 2014; 138(0): 153-160.
    • (2014) Chemometr. Intell. Lab. Syst. , vol.138 , pp. 153-160
    • Tran, T.N.1    Afanador, N.L.2    Buydens, L.M.C.3    Blanchet, L.4
  • 25
    • 84871475187 scopus 로고    scopus 로고
    • Influence of minerals on the taste of bottled and tap water: a chemometric approach
    • Platikanov S, Garcia V, Fonseca I, Rullán E, Devesa R, Tauler R. Influence of minerals on the taste of bottled and tap water: a chemometric approach. Water Res. 2013; 47(2): 693-704.
    • (2013) Water Res. , vol.47 , Issue.2 , pp. 693-704
    • Platikanov, S.1    Garcia, V.2    Fonseca, I.3    Rullán, E.4    Devesa, R.5    Tauler, R.6
  • 26
    • 84882733209 scopus 로고    scopus 로고
    • Identification of metabolic pathways in Daphnia magna explaining hormetic effects of selective serotonin reuptake inhibitors and 4-nonylphenol using transcriptomic and phenotypic responses
    • Campos B, Garcia-Reyero N, Rivetti C, Escalon L, Habib T, Tauler R, Tsakovski S, Piña B, Barata C. Identification of metabolic pathways in Daphnia magna explaining hormetic effects of selective serotonin reuptake inhibitors and 4-nonylphenol using transcriptomic and phenotypic responses. Environ. Sci. Technol. 2013; 47(16): 9434-9443.
    • (2013) Environ. Sci. Technol. , vol.47 , Issue.16 , pp. 9434-9443
    • Campos, B.1    Garcia-Reyero, N.2    Rivetti, C.3    Escalon, L.4    Habib, T.5    Tauler, R.6    Tsakovski, S.7    Piña, B.8    Barata, C.9
  • 27
    • 11144325691 scopus 로고
    • Partial least-squares regression: a tutorial
    • Geladi P, Kowalski BR. Partial least-squares regression: a tutorial. Anal. Chim. Acta 1986; 185: 1-17.
    • (1986) Anal. Chim. Acta , vol.185 , pp. 1-17
    • Geladi, P.1    Kowalski, B.R.2
  • 28
    • 21244436700 scopus 로고    scopus 로고
    • Performance of some variable selection methods when multicollinearity is present
    • Chong I-G, Jun C-H. Performance of some variable selection methods when multicollinearity is present. Chemometr. Intell. Lab. Syst. 2005; 78(1-2): 103-112.
    • (2005) Chemometr. Intell. Lab. Syst. , vol.78 , Issue.1-2 , pp. 103-112
    • Chong, I.-G.1    Jun, C.-H.2
  • 30
    • 34247528537 scopus 로고    scopus 로고
    • Contribution of the FPA tasting panel to decision making about drinking water treatment facilities
    • Devesa R, Cardeñoso R, Matía L. Contribution of the FPA tasting panel to decision making about drinking water treatment facilities. Water Sci. Technol. 2007; 55: 127-135.
    • (2007) Water Sci. Technol. , vol.55 , pp. 127-135
    • Devesa, R.1    Cardeñoso, R.2    Matía, L.3
  • 31
    • 67349221297 scopus 로고    scopus 로고
    • Expedition 307 Scientists
    • Site U1318. Proc IODP: Washington, DC (Integrated Ocean Drilling Program Management International, Inc.
    • Ferdelman TG, Kano A, Williams T, Henriet J-P, Scientists E. Expedition 307 Scientists. Site U1318. Proc IODP: Washington, DC (Integrated Ocean Drilling Program Management International, Inc., 2006.
    • (2006)
    • Ferdelman, T.G.1    Kano, A.2    Williams, T.3    Henriet, J.-P.4    Scientists, E.5
  • 32
    • 0030064096 scopus 로고    scopus 로고
    • Pitfalls in the chromatographic determination of the alkenone U37k index for paleotemperature estimation
    • Villanueva J, Grimalt JO. Pitfalls in the chromatographic determination of the alkenone U37k index for paleotemperature estimation. J. Chromatogr. A 1996; 723(2): 285-291.
    • (1996) J. Chromatogr. A , vol.723 , Issue.2 , pp. 285-291
    • Villanueva, J.1    Grimalt, J.O.2
  • 33
    • 0031550292 scopus 로고    scopus 로고
    • Clean-up procedures for the unbiased estimation of C-37 alkenone sea surface temperatures and terrigenous n-alkane inputs in paleoceanography
    • Villanueva J, Pelejero C, Grimalt JO. Clean-up procedures for the unbiased estimation of C-37 alkenone sea surface temperatures and terrigenous n-alkane inputs in paleoceanography. J. Chromatogr. A 1997; 757(1-2): 145-151.
    • (1997) J. Chromatogr. A , vol.757 , Issue.1-2 , pp. 145-151
    • Villanueva, J.1    Pelejero, C.2    Grimalt, J.O.3
  • 34
    • 0242669997 scopus 로고    scopus 로고
    • A Perfect Smoother
    • Eilers PHC. A Perfect Smoother. Anal. Chem. 2003; 75(14): 3631-3636.
    • (2003) Anal. Chem. , vol.75 , Issue.14 , pp. 3631-3636
    • Eilers, P.H.C.1
  • 35
    • 84855826318 scopus 로고    scopus 로고
    • Baseline correction with asymmetric least squares smoothing
    • Eilers P, Boelens H. Baseline correction with asymmetric least squares smoothing, 2005.
    • (2005)
    • Eilers, P.1    Boelens, H.2
  • 36
    • 0032076034 scopus 로고    scopus 로고
    • Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping
    • Nielsen N-PV, Carstensen JM, Smedsgaard J. Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping. J. Chromatogr. A 1998; 805(1-2): 17-35.
    • (1998) J. Chromatogr. A , vol.805 , Issue.1-2 , pp. 17-35
    • Nielsen, N.-P.1    Carstensen, J.M.2    Smedsgaard, J.3
  • 37
    • 4444351752 scopus 로고    scopus 로고
    • Correlation optimized warping and dynamic time warping as preprocessing methods for chromatographic data
    • Tomasi G, Berg FVD, Andersson C. Correlation optimized warping and dynamic time warping as preprocessing methods for chromatographic data. J. Chemometr. 2004; 18(5): 231-241.
    • (2004) J. Chemometr. , vol.18 , Issue.5 , pp. 231-241
    • Tomasi, G.1    Berg, F.V.D.2    Andersson, C.3
  • 38
    • 0039398731 scopus 로고    scopus 로고
    • Calibration of the alkenone paleotemperature index U37K′ based on core-tops from the eastern South Atlantic and the global ocean (60°N-60°S)
    • Müller PJ, Kirst G, Ruhland G, von Storch I, Rosell-Melé A. Calibration of the alkenone paleotemperature index U37K′ based on core-tops from the eastern South Atlantic and the global ocean (60°N-60°S). Geochim. Cosmochim. Acta 1998; 62(10): 1757-1772.
    • (1998) Geochim. Cosmochim. Acta , vol.62 , Issue.10 , pp. 1757-1772
    • Müller, P.J.1    Kirst, G.2    Ruhland, G.3    von Storch, I.4    Rosell-Melé, A.5
  • 40
    • 79955664445 scopus 로고    scopus 로고
    • Chromatographic profiling and multivariate analysis for screening and quantifying the contributions from individual components to the bioactive signature in natural products
    • Kvalheim OM, Chan H-Y, Benzie IFF, Szeto Y-T, Tzang AH-C, Mok DK-W, Chau F-T. Chromatographic profiling and multivariate analysis for screening and quantifying the contributions from individual components to the bioactive signature in natural products. Chemometr. Intell. Lab. Syst. 2011; 107(1): 98-105.
    • (2011) Chemometr. Intell. Lab. Syst. , vol.107 , Issue.1 , pp. 98-105
    • Kvalheim, O.M.1    Chan, H.-Y.2    Benzie, I.F.F.3    Szeto, Y.-T.4    Tzang, A.-C.5    Mok, D.-W.6    Chau, F.-T.7
  • 41
    • 34250469865 scopus 로고
    • Hydrocarbons of marine phytoplankton
    • Blumer M, Guillard RRL, Chase T. Hydrocarbons of marine phytoplankton. Mar. Biol. 1971; 8(3): 183-189.
    • (1971) Mar. Biol. , vol.8 , Issue.3 , pp. 183-189
    • Blumer, M.1    Guillard, R.R.L.2    Chase, T.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.