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Volumn 39, Issue 9, 2006, Pages 2073-2083

A partial least squares-based consensus regression method for the analysis of near-infrared complex spectral data of plant samples

Author keywords

Consensus modeling; Multivariate calibration; Near infrared spectroscopy; Partial least squares

Indexed keywords


EID: 33745625882     PISSN: 00032719     EISSN: 1532236X     Source Type: Journal    
DOI: 10.1080/00032710600724088     Document Type: Article
Times cited : (28)

References (23)
  • 1
    • 1542426098 scopus 로고    scopus 로고
    • 2D QSAR consensus prediction for high-throughput virtual screening. An application to COX-2 inhibition modeling and screening of the NCI database
    • Baurin, N., Mozziconacci, J.C., Arnoult, E., Chavatte, P., Marot, C., and Morin-Allory, L. 2004. 2D QSAR consensus prediction for high-throughput virtual screening. An application to COX-2 inhibition modeling and screening of the NCI database. J. Chem. Inf. Comput. Sci., 44 (1): 276-285.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , Issue.1 , pp. 276-285
    • Baurin, N.1    Mozziconacci, J.C.2    Arnoult, E.3    Chavatte, P.4    Marot, C.5    Morin-Allory, L.6
  • 2
    • 0035660102 scopus 로고    scopus 로고
    • Near-infrared libraries in the pharmaceutical industry: A solution for identity confirmation
    • Blanco, M. and Romero, M.A. 2001. Near-infrared libraries in the pharmaceutical industry: a solution for identity confirmation. Analyst, 126 (12): 2212-2217.
    • (2001) Analyst , vol.126 , Issue.12 , pp. 2212-2217
    • Blanco, M.1    Romero, M.A.2
  • 3
    • 0034276320 scopus 로고    scopus 로고
    • Randomizing outputs to increase prediction accuracy. Machine learning
    • Breiman and Leo 2000. Randomizing outputs to increase prediction accuracy. Machine learning. Machine Learning, 40: 229-242.
    • (2000) Machine Learning , vol.40 , pp. 229-242
    • Breiman1    Leo2
  • 5
    • 3142619653 scopus 로고    scopus 로고
    • Removal of major interference sources in aqueous near-infrared spectroscopy techniques
    • Chen, D., Hu, B., Shao, X., and Su, Q. 2004. Removal of major interference sources in aqueous near-infrared spectroscopy techniques. Anal. Bioanal. Chem., 379 (1): 143-148.
    • (2004) Anal. Bioanal. Chem. , vol.379 , Issue.1 , pp. 143-148
    • Chen, D.1    Hu, B.2    Shao, X.3    Su, Q.4
  • 6
    • 0141539544 scopus 로고    scopus 로고
    • Elimination of interference information by a new hybrid algorithm for quantitative calibration of near infrared spectra
    • Chen, D., Wang, F., Shao, X., and Su, Q. 2003. Elimination of interference information by a new hybrid algorithm for quantitative calibration of near infrared spectra. Analyst, 128 (9): 1200-1203.
    • (2003) Analyst , vol.128 , Issue.9 , pp. 1200-1203
    • Chen, D.1    Wang, F.2    Shao, X.3    Su, Q.4
  • 7
    • 0027399061 scopus 로고
    • Near infrared reflectance analysis: Features and applications in pharmaceutical and biomedical analysis
    • Corti, P., Dreassi, E., and Leonardi, S. 1993. Near infrared reflectance analysis: features and applications in pharmaceutical and biomedical analysis. Farmaco, 48 (1): 3-20.
    • (1993) Farmaco , vol.48 , Issue.1 , pp. 3-20
    • Corti, P.1    Dreassi, E.2    Leonardi, S.3
  • 8
    • 5444232094 scopus 로고    scopus 로고
    • Validated QSAR prediction of OH tropospheric degradation of VOCs: Splitting into training-test sets and consensus modeling
    • Gramatica, P., Pilutti, P., and Papa, E. 2004. Validated QSAR prediction of OH tropospheric degradation of VOCs: splitting into training-test sets and consensus modeling. J. Chem. Inf. Comput. Sci., 44 (5): 1794-1802.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , Issue.5 , pp. 1794-1802
    • Gramatica, P.1    Pilutti, P.2    Papa, E.3
  • 9
    • 0028820823 scopus 로고
    • Related versions of the multiplicative scatter correction method for preprocessing spectroscopic data
    • Helland, I.S., Naes, T., and Isaksson, T. 1995. Related versions of the multiplicative scatter correction method for preprocessing spectroscopic data. Chemom. Intell. Lab. Syst., 29 (2): 233-241.
    • (1995) Chemom. Intell. Lab. Syst. , vol.29 , Issue.2 , pp. 233-241
    • Helland, I.S.1    Naes, T.2    Isaksson, T.3
  • 10
    • 0035223641 scopus 로고    scopus 로고
    • Modeling the native state ensemble
    • Hilser, V.J. 2001. Modeling the native state ensemble. Methods Mol. Biol., 168: 93-116.
    • (2001) Methods Mol. Biol. , vol.168 , pp. 93-116
    • Hilser, V.J.1
  • 11
    • 23244449322 scopus 로고    scopus 로고
    • Development of a PLS based method for determination of the quality of beers by use of NIR: Spectral ranges and sample-introduction considerations
    • Inon, F.A., Llario, R., Garrigues, S., and de la Guardia, M. 2005. Development of a PLS based method for determination of the quality of beers by use of NIR: spectral ranges and sample-introduction considerations. Anal. Bioanal. Chem., 382 (7): 1549-1561.
    • (2005) Anal. Bioanal. Chem. , vol.382 , Issue.7 , pp. 1549-1561
    • Inon, F.A.1    Llario, R.2    Garrigues, S.3    De La Guardia, M.4
  • 12
    • 0000749354 scopus 로고
    • Neural Network Ensembles, Cross Validation, and Active Learning
    • Touretzky, D.S. and Leen, T.K. (eds.), MIT Press: Cambridge
    • Krogh, A. and Vedelsby, J. 1995. Neural Network Ensembles, Cross Validation, and Active Learning. In Advances in Neural Information Processing Systems 7, Touretzky, D.S. and Leen, T.K. (eds.), MIT Press: Cambridge.
    • (1995) Advances in Neural Information Processing Systems 7
    • Krogh, A.1    Vedelsby, J.2
  • 13
    • 0028529836 scopus 로고
    • Studies on spectra/structure correlations in near-infrared spectra of proteins and polypeptides. Part I. A marker for hydrogen bonds
    • Liu, Y., Cho, R., Sakurai, K., Miura, T., and Ozaki, Y. 1994. Studies on spectra/structure correlations in near-infrared spectra of proteins and polypeptides. Part I. A marker for hydrogen bonds. Appl. Spectrosc., 48: 1249-1254.
    • (1994) Appl. Spectrosc. , vol.48 , pp. 1249-1254
    • Liu, Y.1    Cho, R.2    Sakurai, K.3    Miura, T.4    Ozaki, Y.5
  • 14
    • 0030230218 scopus 로고    scopus 로고
    • Near-infrared spectroscopic measurements of structural changes in starch-containing extruded products
    • Millar, S., Robert, P., Devaux, M.F., Guy, R.C.E., and Maris, P. 1996. Near-infrared spectroscopic measurements of structural changes in starch-containing extruded products. Appl. Spectrosc., 50: 1134-1139.
    • (1996) Appl. Spectrosc. , vol.50 , pp. 1134-1139
    • Millar, S.1    Robert, P.2    Devaux, M.F.3    Guy, R.C.E.4    Maris, P.5
  • 15
    • 0000926506 scopus 로고
    • When Networks Disagree: Ensemble Methods for Hybrid Neural Networks
    • and Mammone, R.J. (eds.), Chapman and Hall
    • Perrone, M.P. and Cooper, L.N. 1993. When Networks Disagree: Ensemble Methods for Hybrid Neural Networks. In Neural Networks for Speech and Image Processing. and Mammone, R.J. (eds.), Chapman and Hall.
    • (1993) Neural Networks for Speech and Image Processing
    • Perrone, M.P.1    Cooper, L.N.2
  • 16
    • 0141738776 scopus 로고    scopus 로고
    • Consensus alignment for reliable framework prediction in homology modeling
    • Prasad, J.C., Comeau, S.R., Vajda, S., and Camacho, C.J. 2003. Consensus alignment for reliable framework prediction in homology modeling. Bioinformatics, 19 (13): 1682-1691.
    • (2003) Bioinformatics , vol.19 , Issue.13 , pp. 1682-1691
    • Prasad, J.C.1    Comeau, S.R.2    Vajda, S.3    Camacho, C.J.4
  • 17
    • 19944388269 scopus 로고    scopus 로고
    • Characterization of peppercorn, pepper oil, and pepper oleoresin by vibrational spectroscopy methods
    • Schulz, H., Baranska, M., Quilitzsch, R., Schutze, W., and Losing, G. 2005. Characterization of peppercorn, pepper oil, and pepper oleoresin by vibrational spectroscopy methods. J. Agric. Food Chem., 53 (9): 3358-3363.
    • (2005) J. Agric. Food Chem. , vol.53 , Issue.9 , pp. 3358-3363
    • Schulz, H.1    Baranska, M.2    Quilitzsch, R.3    Schutze, W.4    Losing, G.5
  • 18
    • 14644389629 scopus 로고    scopus 로고
    • A method for near-infrared spectral calibration of complex plant samples with wavelet transform and elimination of uninformative variables
    • Shao, X., Wang, F., Chen, D., and Su, Q. 2004. A method for near-infrared spectral calibration of complex plant samples with wavelet transform and elimination of uninformative variables. Anal. Bioanal. Chem., 378 (5): 1382-1387.
    • (2004) Anal. Bioanal. Chem. , vol.378 , Issue.5 , pp. 1382-1387
    • Shao, X.1    Wang, F.2    Chen, D.3    Su, Q.4
  • 19
    • 0141812475 scopus 로고    scopus 로고
    • An evaluation of orthogonal signal correction applied to calibration transfer of near infrared spectra
    • Sjoblom, J., Svensson, O., Josefson, M., Kullberg, H., and Wold, S. 1998. An evaluation of orthogonal signal correction applied to calibration transfer of near infrared spectra. Chemom. Intell. Lab. Syst., 44 (1): 229-244.
    • (1998) Chemom. Intell. Lab. Syst. , vol.44 , Issue.1 , pp. 229-244
    • Sjoblom, J.1    Svensson, O.2    Josefson, M.3    Kullberg, H.4    Wold, S.5
  • 20
    • 20444399504 scopus 로고    scopus 로고
    • Boosting: An ensemble learning tool for compound classification and QSAR modeling
    • Svetnik, V., Wang, T., Tong, C., Liaw, A., Sheridan, R.P., and Song, Q. 2005. Boosting: an ensemble learning tool for compound classification and QSAR modeling. J. Chem. Inf. Model., 45 (3): 786-799.
    • (2005) J. Chem. Inf. Model. , vol.45 , Issue.3 , pp. 786-799
    • Svetnik, V.1    Wang, T.2    Tong, C.3    Liaw, A.4    Sheridan, R.P.5    Song, Q.6
  • 21
    • 11944258109 scopus 로고
    • Comparison of multivariate calibration methods for quantitative spectral analysis
    • Thomas, E.V. and Haaland, D.M. 1990. Comparison of multivariate calibration methods for quantitative spectral analysis. Anal. Chem., 62: 1091-1099.
    • (1990) Anal. Chem. , vol.62 , pp. 1091-1099
    • Thomas, E.V.1    Haaland, D.M.2
  • 22
    • 0037365123 scopus 로고    scopus 로고
    • Decision forest: Combining the predictions of multiple independent decision tree models
    • Tong, W., Hong, H., Fang, H., Xie, Q., and Perkins, R. 2003. Decision forest: combining the predictions of multiple independent decision tree models. J. Chem. Inf. Comput. Sci., 43 (2): 525-31.
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , Issue.2 , pp. 525-531
    • Tong, W.1    Hong, H.2    Fang, H.3    Xie, Q.4    Perkins, R.5
  • 23
    • 0029806946 scopus 로고    scopus 로고
    • Perturbations of the denatured state ensemble: Modeling their effects on protein stability and folding kinetics
    • Wrabl, J.O. and Shortle, D. 1996. Perturbations of the denatured state ensemble: modeling their effects on protein stability and folding kinetics. Protein Sci., 5 (11): 2343-2352.
    • (1996) Protein Sci. , vol.5 , Issue.11 , pp. 2343-2352
    • Wrabl, J.O.1    Shortle, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.