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Volumn 20, Issue 8-10, 2006, Pages 352-361

Separating Y-predictive and Y-orthogonal variation in multi-block spectral data

Author keywords

Hierarchical modelling; Multi block spectral data; OPLS; PCA; PLS; Y orthogonal variation; Y predictive variation

Indexed keywords

LEAST SQUARES APPROXIMATIONS;

EID: 34249324050     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.1007     Document Type: Article
Times cited : (14)

References (31)
  • 1
    • 0028924387 scopus 로고
    • Trimmed object projections: A nonparametric robust latent-structure decomposition method
    • Hove H, Liang YZ, Kvalheim OM. Trimmed object projections: a nonparametric robust latent-structure decomposition method. Chemom. Intel. Lab. Syst. 1995; 27: 33-30.
    • (1995) Chemom. Intel. Lab. Syst , vol.27 , pp. 33-30
    • Hove, H.1    Liang, Y.Z.2    Kvalheim, O.M.3
  • 2
    • 0001781024 scopus 로고
    • A multivariate calibration problem in analytical chemistry solved by partial least squares models in latent variables
    • Sjöström M, Wold S, Lindberg W, Persson JÅ, Martens H. A multivariate calibration problem in analytical chemistry solved by partial least squares models in latent variables. Anal. Chim. Acta 1983; 150: 61-70.
    • (1983) Anal. Chim. Acta , vol.150 , pp. 61-70
    • Sjöström, M.1    Wold, S.2    Lindberg, W.3    Persson, J.4    Martens, H.5
  • 4
    • 0003030377 scopus 로고    scopus 로고
    • Multivariate calibration of analytical data
    • Meyers R ed, John Wiley & Sons, Ltd
    • Wold S, Josefson M. Multivariate calibration of analytical data. In Encyclopedia of Analytical Chemistry. Meyers R (ed.). John Wiley & Sons, Ltd.: 2000; pp 9710-9736.
    • (2000) Encyclopedia of Analytical Chemistry , pp. 9710-9736
    • Wold, S.1    Josefson, M.2
  • 5
    • 84984329774 scopus 로고
    • PLS fits closer than PCR
    • De Jong S. PLS fits closer than PCR. J. Chemom. 1993; 7: 551-557.
    • (1993) J. Chemom , vol.7 , pp. 551-557
    • De Jong, S.1
  • 6
    • 0036083139 scopus 로고    scopus 로고
    • Orthogonal projections to latent structures (OPLS)
    • Trygg J, Wold S. Orthogonal projections to latent structures (OPLS). J. Chemom. 2002; 16: 119-128.
    • (2002) J. Chemom , vol.16 , pp. 119-128
    • Trygg, J.1    Wold, S.2
  • 7
    • 84856609425 scopus 로고    scopus 로고
    • Multi- and megavariate data analysis - principles and applications
    • Academy, ISBN: 91-973730-2-8
    • Eriksson L, Johansson E, Kettaneh-Wold N, Trygg J, Wikström C, Wold S. Multi- and megavariate data analysis - principles and applications. Umetrics Academy www.umetrics.com. (2006); ISBN: 91-973730-2-8.
    • (2006) Umetrics
    • Eriksson, L.1    Johansson, E.2    Kettaneh-Wold, N.3    Trygg, J.4    Wikström, C.5    Wold, S.6
  • 8
    • 4143114481 scopus 로고    scopus 로고
    • Prediction and spectral profile estimation in multivariate calibration
    • Trygg J. Prediction and spectral profile estimation in multivariate calibration. J. Chemom. 2004; 18: 166-172.
    • (2004) J. Chemom , vol.18 , pp. 166-172
    • Trygg, J.1
  • 9
    • 0000216114 scopus 로고    scopus 로고
    • Vibrational spectrometry for the assessment of active substance in metoprolol tablets: A comparison between transmission and diffuse reflectance near-infrared spectrometry
    • Gottfries J, Depui H, Fransson H, Jongeneelen M, Josefsson M, Langkilde FW, Witte DT. Vibrational spectrometry for the assessment of active substance in metoprolol tablets: a comparison between transmission and diffuse reflectance near-infrared spectrometry. J. Pharm. Biomed. Anal. 1996; 14: 1495-1503.
    • (1996) J. Pharm. Biomed. Anal , vol.14 , pp. 1495-1503
    • Gottfries, J.1    Depui, H.2    Fransson, H.3    Jongeneelen, M.4    Josefsson, M.5    Langkilde, F.W.6    Witte, D.T.7
  • 10
    • 0030904679 scopus 로고    scopus 로고
    • Determination of moisture in hard gelatin capsules using near-infrared spectroscopy. Applications to at-line process control of pharmaceutics
    • Berntsson O, Zackrisson G, Östling G. Determination of moisture in hard gelatin capsules using near-infrared spectroscopy. Applications to at-line process control of pharmaceutics. J. Pharm. Biomed. Anal. 1997; 15: 895-900.
    • (1997) J. Pharm. Biomed. Anal , vol.15 , pp. 895-900
    • Berntsson, O.1    Zackrisson, G.2    Östling, G.3
  • 11
    • 0009526837 scopus 로고    scopus 로고
    • Quantification of an active substance in a tablet by NIR and Raman spectroscopy
    • Jedvert I, Josefson M, Langkilde F. Quantification of an active substance in a tablet by NIR and Raman spectroscopy. J. Near Infrared Spectrosc. 1998; 6: 279-289.
    • (1998) J. Near Infrared Spectrosc , vol.6 , pp. 279-289
    • Jedvert, I.1    Josefson, M.2    Langkilde, F.3
  • 12
    • 0034193498 scopus 로고    scopus 로고
    • Comparison between a new application of multivariate regression and current spectroscopy methods for the determination of chlorophylls and their corresponding pheopigments
    • Moberg L, Karlberg B, Blomqvist S, Larsson U. Comparison between a new application of multivariate regression and current spectroscopy methods for the determination of chlorophylls and their corresponding pheopigments. Anal. Chim. Acta 2000; 411: 137-143.
    • (2000) Anal. Chim. Acta , vol.411 , pp. 137-143
    • Moberg, L.1    Karlberg, B.2    Blomqvist, S.3    Larsson, U.4
  • 13
    • 0035930415 scopus 로고    scopus 로고
    • Validation of a multivariate calibration method for the determination of chlorophyll a, b, and c and their corresponding pheopigments
    • Moberg L, Karlberg B. Validation of a multivariate calibration method for the determination of chlorophyll a, b, and c and their corresponding pheopigments. Anal. Chim. Acta 2001; 450: 143-153.
    • (2001) Anal. Chim. Acta , vol.450 , pp. 143-153
    • Moberg, L.1    Karlberg, B.2
  • 14
    • 0035016231 scopus 로고    scopus 로고
    • Hierarchical principal component analysis (PCA) and projection to latent structure (PLS) technique on spectroscopic data as a data pretreatment for calibration
    • Janné K, Pettersen J, Lindberg N-O, Lundstedt T. Hierarchical principal component analysis (PCA) and projection to latent structure (PLS) technique on spectroscopic data as a data pretreatment for calibration. J. Chemom. 2001; 15: 203-213.
    • (2001) J. Chemom , vol.15 , pp. 203-213
    • Janné, K.1    Pettersen, J.2    Lindberg, N.-O.3    Lundstedt, T.4
  • 16
    • 0001369487 scopus 로고    scopus 로고
    • Hierarchical multiblock PLS and PC models for easier model interpretation and as an alternative to variable selection
    • Wold S, Kettaneh N, Tjessem K. Hierarchical multiblock PLS and PC models for easier model interpretation and as an alternative to variable selection. J. Chemom. 1996; 10: 463-482.
    • (1996) J. Chemom , vol.10 , pp. 463-482
    • Wold, S.1    Kettaneh, N.2    Tjessem, K.3
  • 17
    • 0031264036 scopus 로고    scopus 로고
    • Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA
    • Berglund A, DeRosa MC, Wold S. Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA. J. Comput. Aided Mol. Des. 1997; 11: 601-612.
    • (1997) J. Comput. Aided Mol. Des , vol.11 , pp. 601-612
    • Berglund, A.1    DeRosa, M.C.2    Wold, S.3
  • 19
    • 0000736392 scopus 로고    scopus 로고
    • Analysis of multiblock and hierarchical PCA and PLS models
    • Westerhuis J, Kourti T, MacGregor JF. Analysis of multiblock and hierarchical PCA and PLS models. J. Chemom. 1998; 12: 301-321.
    • (1998) J. Chemom , vol.12 , pp. 301-321
    • Westerhuis, J.1    Kourti, T.2    MacGregor, J.F.3
  • 20
    • 0035016231 scopus 로고    scopus 로고
    • Hierarchical principal component analysis (PCA) and projection to latent structure technique (PLS) on spectroscopic data as a data pretreatment for calibration
    • Janné K, Pettersen J, Lindberg NO, Lundstedt T. Hierarchical principal component analysis (PCA) and projection to latent structure technique (PLS) on spectroscopic data as a data pretreatment for calibration. J. Chemom. 2001; 15: 203-213.
    • (2001) J. Chemom , vol.15 , pp. 203-213
    • Janné, K.1    Pettersen, J.2    Lindberg, N.O.3    Lundstedt, T.4
  • 23
    • 0345413446 scopus 로고    scopus 로고
    • Hierarchical multivariate analysis of cockle phenomena
    • Stefanov ZI, Hoo KA. Hierarchical multivariate analysis of cockle phenomena. J. Chemom. 2003; 17: 550-568.
    • (2003) J. Chemom , vol.17 , pp. 550-568
    • Stefanov, Z.I.1    Hoo, K.A.2
  • 27
    • 84951601886 scopus 로고
    • Cross-validatory estimation of the number of components in factor and principal components models
    • Wold S. Cross-validatory estimation of the number of components in factor and principal components models. Technometrics 1978; 20: 397-405.
    • (1978) Technometrics , vol.20 , pp. 397-405
    • Wold, S.1
  • 28
    • 85153983892 scopus 로고    scopus 로고
    • www.umetrics.com.
  • 29
    • 0024701578 scopus 로고
    • Standard normal variate transformation and de-trending of near-infrared diffuse reflectance spectra
    • Barnes RJ, Dhanoa MS, Lister SJ. Standard normal variate transformation and de-trending of near-infrared diffuse reflectance spectra. Appl. Spectrosc. 1989; 43: 772-777.
    • (1989) Appl. Spectrosc , vol.43 , pp. 772-777
    • Barnes, R.J.1    Dhanoa, M.S.2    Lister, S.J.3
  • 30
    • 4444303843 scopus 로고    scopus 로고
    • A design of experiment approach incorporating layered designs for choosing the right calibration model
    • Flåten GR, Walmsley AD. A design of experiment approach incorporating layered designs for choosing the right calibration model. Chemom. Intell. Lab. Syst. 2004; 73: 55-66.
    • (2004) Chemom. Intell. Lab. Syst , vol.73 , pp. 55-66
    • Flåten, G.R.1    Walmsley, A.D.2
  • 31
    • 0032575944 scopus 로고    scopus 로고
    • Partial factorial designs for multivariate calibration: Extension to seven levels and comparison of strategy
    • Munoz JA, Brereton RG. Partial factorial designs for multivariate calibration: extension to seven levels and comparison of strategy. Chemom. Intell. Lab. Syst. 1998; 43: 89-105.
    • (1998) Chemom. Intell. Lab. Syst , vol.43 , pp. 89-105
    • Munoz, J.A.1    Brereton, R.G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.