-
2
-
-
84882465645
-
Variable selection
-
Elsevier, Amsterdam, S.D. Brown, R. Tauler, B. Walczak (Eds.)
-
Galvao R.K.H., Araujo M.C.U. Variable selection. Comprehensive Chemometrics 2009, vol. 3:233. Elsevier, Amsterdam. S.D. Brown, R. Tauler, B. Walczak (Eds.).
-
(2009)
Comprehensive Chemometrics
, vol.3
, pp. 233
-
-
Galvao, R.K.H.1
Araujo, M.C.U.2
-
3
-
-
0030859519
-
Genetic algorithms as a method for variable selection in PLS regression, with applications to pyrolysis mass spectrometry
-
Broadhurst D., Goodacre R., Jones A., Rowland J.J., Kell D.B. Genetic algorithms as a method for variable selection in PLS regression, with applications to pyrolysis mass spectrometry. Anal. Chim. Acta 1997, 348:71-86.
-
(1997)
Anal. Chim. Acta
, vol.348
, pp. 71-86
-
-
Broadhurst, D.1
Goodacre, R.2
Jones, A.3
Rowland, J.J.4
Kell, D.B.5
-
4
-
-
0032215304
-
Genetic algorithm-based wavelength selection for the near-infrared determination of glucose in biological matrixes: initialization strategies and effects of spectral resolution
-
Ding Q., Small G.W., Arnold M.A. Genetic algorithm-based wavelength selection for the near-infrared determination of glucose in biological matrixes: initialization strategies and effects of spectral resolution. Anal. Chem. 1998, 70:4472-4479.
-
(1998)
Anal. Chem.
, vol.70
, pp. 4472-4479
-
-
Ding, Q.1
Small, G.W.2
Arnold, M.A.3
-
5
-
-
0032871360
-
GA strategy for variable selection in QSAR studies: enhancement of comparative molecular binding energy analysis by GA-based PLS method
-
Hasegawa K., Kimura T., Funatsu K. GA strategy for variable selection in QSAR studies: enhancement of comparative molecular binding energy analysis by GA-based PLS method. Quant. Struct. Act. Relat. 1999, 18:262-272.
-
(1999)
Quant. Struct. Act. Relat.
, vol.18
, pp. 262-272
-
-
Hasegawa, K.1
Kimura, T.2
Funatsu, K.3
-
6
-
-
0030333180
-
Genetic algorithm-based method for selecting wavelengths and model size for use with partial least-squares regression: application to near-infrared spectroscopy
-
Bangalore A.S., Shaffer R.E., Small G.W. Genetic algorithm-based method for selecting wavelengths and model size for use with partial least-squares regression: application to near-infrared spectroscopy. Anal. Chem. 1996, 68:4200-4212.
-
(1996)
Anal. Chem.
, vol.68
, pp. 4200-4212
-
-
Bangalore, A.S.1
Shaffer, R.E.2
Small, G.W.3
-
7
-
-
0003188418
-
Theoretical justification of wavelength selection in PLS calibration: development of a new algorithm
-
Spiegelman C.H., McShane M.J., Goetz M.J., Motamedi M., Yue Q.L., Coté G.L. Theoretical justification of wavelength selection in PLS calibration: development of a new algorithm. Anal. Chem. 1998, 70:35-44.
-
(1998)
Anal. Chem.
, vol.70
, pp. 35-44
-
-
Spiegelman, C.H.1
McShane, M.J.2
Goetz, M.J.3
Motamedi, M.4
Yue, Q.L.5
Coté, G.L.6
-
8
-
-
0035965455
-
Comparison of selection methods of explanatory variables in PLS regression with application to manufacturing process data
-
Gauchi J.-P., Chagnon P. Comparison of selection methods of explanatory variables in PLS regression with application to manufacturing process data. Chemometr. Intell. Lab. Syst. 2001, 58:171-193.
-
(2001)
Chemometr. Intell. Lab. Syst.
, vol.58
, pp. 171-193
-
-
Gauchi, J.-P.1
Chagnon, P.2
-
9
-
-
77953619928
-
-
USP, Baltimore, MD, USA
-
United States Pharmacopoeia (USP), Chapter 1119, Near-Infrared Spectrophotometry 2008, USP, Baltimore, MD, USA.
-
(2008)
United States Pharmacopoeia (USP), Chapter 1119, Near-Infrared Spectrophotometry
-
-
-
10
-
-
0001594118
-
Nonlinear multivariate calibration using principal components regression and artificial neural networks
-
Gemperline P.J., Long J.R., Gregoriou V.G. Nonlinear multivariate calibration using principal components regression and artificial neural networks. Anal. Chem. 1991, 63:2313-2323.
-
(1991)
Anal. Chem.
, vol.63
, pp. 2313-2323
-
-
Gemperline, P.J.1
Long, J.R.2
Gregoriou, V.G.3
-
11
-
-
0000105237
-
Elimination of uninformative variables for multivariate calibration
-
Centner V., Massart D.L., de Noord O.E., de Jong S., Vandeginste B.M., Sterna C. Elimination of uninformative variables for multivariate calibration. Anal. Chem. 1996, 68:3851-3858.
-
(1996)
Anal. Chem.
, vol.68
, pp. 3851-3858
-
-
Centner, V.1
Massart, D.L.2
de Noord, O.E.3
de Jong, S.4
Vandeginste, B.M.5
Sterna, C.6
-
12
-
-
21244436700
-
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, 78:103-112.
-
(2005)
Chemometr. Intell. Lab. Syst.
, vol.78
, pp. 103-112
-
-
Chong, I.-G.1
Jun, C.-H.2
-
13
-
-
0025484884
-
Qualitative information from multivariate calibration models
-
Seasholtz M.B., Kowalski B.R. Qualitative information from multivariate calibration models. Appl. Spectrosc. 1990, 44:1337-1348.
-
(1990)
Appl. Spectrosc.
, vol.44
, pp. 1337-1348
-
-
Seasholtz, M.B.1
Kowalski, B.R.2
-
15
-
-
0035007969
-
Interpretation of regression coefficients under a latent variable regression model
-
Burnham A.J., MacGregor J.F., Viveros R. Interpretation of regression coefficients under a latent variable regression model. J. Chemometr. 2001, 15:265-284.
-
(2001)
J. Chemometr.
, vol.15
, pp. 265-284
-
-
Burnham, A.J.1
MacGregor, J.F.2
Viveros, R.3
-
16
-
-
63049100737
-
Critical factors limiting the interpretation of regression vectors in multivariate calibration
-
Brown C.D., Green R.L. Critical factors limiting the interpretation of regression vectors in multivariate calibration. Trends Anal. Chem. 2009, 28:506-514.
-
(2009)
Trends Anal. Chem.
, vol.28
, pp. 506-514
-
-
Brown, C.D.1
Green, R.L.2
-
17
-
-
84984336225
-
Interactive variable selection (IVS) for PLS. Part 1: theory and algorithms
-
Lindgren F., Geladi P., Rännar S., Wold S. Interactive variable selection (IVS) for PLS. Part 1: theory and algorithms. J. Chemometr. 1994, 8:349-363.
-
(1994)
J. Chemometr.
, vol.8
, pp. 349-363
-
-
Lindgren, F.1
Geladi, P.2
Rännar, S.3
Wold, S.4
-
18
-
-
58549092572
-
Sorting variables by using informative vectors as a strategy for feature selection in multivariate regression
-
Teófilo R.F., Martins J.P.A., Ferreira M.M.C. Sorting variables by using informative vectors as a strategy for feature selection in multivariate regression. J. Chemometr. 2009, 23:32-48.
-
(2009)
J. Chemometr.
, vol.23
, pp. 32-48
-
-
Teófilo, R.F.1
Martins, J.P.A.2
Ferreira, M.M.C.3
-
19
-
-
0033905297
-
Interval partial least-squares regression (iPLS): a comparative chemometric study with an example from near-infrared spectroscopy
-
Nørgaard L., Saudland A., Wagner J., Nielsen J.P., Munck L., Engelsen S.B. Interval partial least-squares regression (iPLS): a comparative chemometric study with an example from near-infrared spectroscopy. Appl. Spectrosc. 2000, 54:413-419.
-
(2000)
Appl. Spectrosc.
, vol.54
, pp. 413-419
-
-
Nørgaard, L.1
Saudland, A.2
Wagner, J.3
Nielsen, J.P.4
Munck, L.5
Engelsen, S.B.6
-
20
-
-
0032988145
-
Wavelength selection by net analyte signals calculated with the multivariate factor-based hybrid linear analysis (HLA). A theoretical and experimental comparison with partial least-squares (PLS)
-
Goicoechea H.C., Olivieri A.C. Wavelength selection by net analyte signals calculated with the multivariate factor-based hybrid linear analysis (HLA). A theoretical and experimental comparison with partial least-squares (PLS). Analyst 1999, 124:725-731.
-
(1999)
Analyst
, vol.124
, pp. 725-731
-
-
Goicoechea, H.C.1
Olivieri, A.C.2
-
21
-
-
0347482406
-
Spectral regions selection to improve prediction ability of PLS models by changeable size moving window partial least squares and searching combination moving window partial least squares
-
Du Y.P., Liang Y.Z., Jiang J.H., Berry R.J., Ozaki Y. Spectral regions selection to improve prediction ability of PLS models by changeable size moving window partial least squares and searching combination moving window partial least squares. Anal. Chim. Acta 2004, 501:183-191.
-
(2004)
Anal. Chim. Acta
, vol.501
, pp. 183-191
-
-
Du, Y.P.1
Liang, Y.Z.2
Jiang, J.H.3
Berry, R.J.4
Ozaki, Y.5
-
22
-
-
43049123764
-
Automated wavelength selection for spectroscopic fuel models by symmetrically contracting repeated unmoving window partial least squares
-
Cramer J.A., Kramer K.E., Johnson K.J., Morris R.E., Rose-Pehrsson S.L. Automated wavelength selection for spectroscopic fuel models by symmetrically contracting repeated unmoving window partial least squares. Chemometr. Intell. Lab. Syst. 2008, 92:13-21.
-
(2008)
Chemometr. Intell. Lab. Syst.
, vol.92
, pp. 13-21
-
-
Cramer, J.A.1
Kramer, K.E.2
Johnson, K.J.3
Morris, R.E.4
Rose-Pehrsson, S.L.5
-
23
-
-
0037150785
-
Variable selection for multivariate calibration using a genetic algorithm: prediction of additive concentrations in polymer films from Fourier transform-infrared spectral data
-
Leardi R., Seasholtz M.B., Pell R.J. Variable selection for multivariate calibration using a genetic algorithm: prediction of additive concentrations in polymer films from Fourier transform-infrared spectral data. Anal. Chim. Acta 2002, 461:189-200.
-
(2002)
Anal. Chim. Acta
, vol.461
, pp. 189-200
-
-
Leardi, R.1
Seasholtz, M.B.2
Pell, R.J.3
-
24
-
-
0345019845
-
Genetic algorithms applied to feature selection in PLS regression: how and when to use them
-
Leardi R., Lupiáñez González A. Genetic algorithms applied to feature selection in PLS regression: how and when to use them. Chemometr. Intell. Lab. Syst. 1998, 41:195-207.
-
(1998)
Chemometr. Intell. Lab. Syst.
, vol.41
, pp. 195-207
-
-
Leardi, R.1
Lupiáñez González, A.2
-
25
-
-
0036757852
-
Wavelength selection for multivariate calibration using a genetic algorithm: a novel initialization strategy
-
Goicoechea H.C., Olivieri A.C. Wavelength selection for multivariate calibration using a genetic algorithm: a novel initialization strategy. J. Chem. Inf. Comp. Sci. 2002, 42:1146-1153.
-
(2002)
J. Chem. Inf. Comp. Sci.
, vol.42
, pp. 1146-1153
-
-
Goicoechea, H.C.1
Olivieri, A.C.2
-
26
-
-
4243096080
-
A new genetic algorithm applied to the near-infrared analysis of gasolines
-
Boschetti C.E., Olivieri A.C. A new genetic algorithm applied to the near-infrared analysis of gasolines. J. NIR Spectrosc. 2004, 12:85-91.
-
(2004)
J. NIR Spectrosc.
, vol.12
, pp. 85-91
-
-
Boschetti, C.E.1
Olivieri, A.C.2
-
27
-
-
0042318560
-
A new family of genetic algorithms for wavelength interval selection in multivariate analytical spectroscopy
-
Goicoechea H.C., Olivieri A.C. A new family of genetic algorithms for wavelength interval selection in multivariate analytical spectroscopy. J. Chemometr. 2003, 17:338-345.
-
(2003)
J. Chemometr.
, vol.17
, pp. 338-345
-
-
Goicoechea, H.C.1
Olivieri, A.C.2
-
28
-
-
33845489451
-
Variable-weighted PLS
-
Xu L., Jiang J.-H., Wu H.-L., Shen G.-L., Yu R.-Q. Variable-weighted PLS. Chemometr. Intell. Lab. Syst. 2007, 85:140-143.
-
(2007)
Chemometr. Intell. Lab. Syst.
, vol.85
, pp. 140-143
-
-
Xu, L.1
Jiang, J.-H.2
Wu, H.-L.3
Shen, G.-L.4
Yu, R.-Q.5
-
29
-
-
0024738079
-
Global optimization by simulated annealing with wavelength selection for ultraviolet-visible spectrophotometry
-
Kalivas J.H., Roberts N., Sutter J.M. Global optimization by simulated annealing with wavelength selection for ultraviolet-visible spectrophotometry. Anal. Chem. 1989, 61:2024-2030.
-
(1989)
Anal. Chem.
, vol.61
, pp. 2024-2030
-
-
Kalivas, J.H.1
Roberts, N.2
Sutter, J.M.3
-
30
-
-
34247232136
-
Ant colony optimisation: a powerful tool for wavelength selection
-
Shamsipur M., Zare-Shahabadi V., Hemmateenejad B., Akhond M. Ant colony optimisation: a powerful tool for wavelength selection. J. Chemometr. 2006, 20:146-157.
-
(2006)
J. Chemometr.
, vol.20
, pp. 146-157
-
-
Shamsipur, M.1
Zare-Shahabadi, V.2
Hemmateenejad, B.3
Akhond, M.4
-
31
-
-
0032214377
-
Development of a universal algorithm for use of NIR in estimation of soluble solids in fruit juices
-
Chang W.H., Chen S., Tsai C.C. Development of a universal algorithm for use of NIR in estimation of soluble solids in fruit juices. Trans. ASAE 1988, 41:1739-1745.
-
(1988)
Trans. ASAE
, vol.41
, pp. 1739-1745
-
-
Chang, W.H.1
Chen, S.2
Tsai, C.C.3
-
32
-
-
34247543471
-
Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
-
Valderrama P., Braga J.W.B., Poppi R.J. Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy. J. Braz. Chem. Soc. 2007, 18:259-266.
-
(2007)
J. Braz. Chem. Soc.
, vol.18
, pp. 259-266
-
-
Valderrama, P.1
Braga, J.W.B.2
Poppi, R.J.3
-
33
-
-
0042967613
-
Rapid determination of invert cane sugar adulteration in honey using FTIR spectroscopy and multivariate analysis
-
Irudayaraj J., Xu F., Tewari J.J. Rapid determination of invert cane sugar adulteration in honey using FTIR spectroscopy and multivariate analysis. J. Food Sci. 2003, 68:2040-2045.
-
(2003)
J. Food Sci.
, vol.68
, pp. 2040-2045
-
-
Irudayaraj, J.1
Xu, F.2
Tewari, J.J.3
-
34
-
-
0034794083
-
Fourier transform infrared spectroscopy for Kona coffee authentication
-
Sivakesava S., Irudayaraj J. Fourier transform infrared spectroscopy for Kona coffee authentication. J. Food Sci. 2001, 66:972-978.
-
(2001)
J. Food Sci.
, vol.66
, pp. 972-978
-
-
Sivakesava, S.1
Irudayaraj, J.2
-
35
-
-
1142273549
-
Direct near infrared analysis of sugar cane clear juice using a fibre-optic transmittance probe
-
Tewari J., Mehrotra R., Irudayaraj J. Direct near infrared analysis of sugar cane clear juice using a fibre-optic transmittance probe. J. Near Infrared Spectrosc. 2003, 11:351-356.
-
(2003)
J. Near Infrared Spectrosc.
, vol.11
, pp. 351-356
-
-
Tewari, J.1
Mehrotra, R.2
Irudayaraj, J.3
-
36
-
-
0001487866
-
Application of near infrared spectroscopy in the sugar industry
-
Salgo A., Nagy J., Mikó É. Application of near infrared spectroscopy in the sugar industry. J. Near Infrared Spectrosc. 1998, 6:A101-A106.
-
(1998)
J. Near Infrared Spectrosc.
, vol.6
-
-
Salgo, A.1
Nagy, J.2
Mikó, É.3
-
37
-
-
14844320784
-
PLS pruning: a new approach to variable selection for multivariate calibration based on Hessian matrix of errors
-
Lima S.L.T., Mello C., Poppi R.J. PLS pruning: a new approach to variable selection for multivariate calibration based on Hessian matrix of errors. Chemometr. Intell. Lab. Syst. 2005, 76:73-78.
-
(2005)
Chemometr. Intell. Lab. Syst.
, vol.76
, pp. 73-78
-
-
Lima, S.L.T.1
Mello, C.2
Poppi, R.J.3
-
38
-
-
33645217095
-
Uncertainty estimation in spectroscopic multivariate calibration
-
Olivieri A.C., Faber N.M., Ferré J., Boqué R., Kalivas J.H., Mark H. Uncertainty estimation in spectroscopic multivariate calibration. Pure Appl. Chem. 2006, 78:633-661.
-
(2006)
Pure Appl. Chem.
, vol.78
, pp. 633-661
-
-
Olivieri, A.C.1
Faber, N.M.2
Ferré, J.3
Boqué, R.4
Kalivas, J.H.5
Mark, H.6
-
39
-
-
84882554716
-
Validation and error
-
Elsevier, Amsterdam, S. Brown, R. Tauler, B. Walczak (Eds.)
-
Olivieri A.C., Faber N.M. Validation and error. Comprehensive Chemometrics 2009, vol. 3:91-120. Elsevier, Amsterdam. S. Brown, R. Tauler, B. Walczak (Eds.).
-
(2009)
Comprehensive Chemometrics
, vol.3
, pp. 91-120
-
-
Olivieri, A.C.1
Faber, N.M.2
-
40
-
-
0000079353
-
Propagation of measurement errors for the validation of predictions obtained by principal component regression and partial least squares
-
Faber K., Kowalski B.R. Propagation of measurement errors for the validation of predictions obtained by principal component regression and partial least squares. J. Chemometr. 1997, 11:181-238.
-
(1997)
J. Chemometr.
, vol.11
, pp. 181-238
-
-
Faber, K.1
Kowalski, B.R.2
-
41
-
-
0037191668
-
Uncertainty estimation for multivariate regression coefficients
-
Faber N.M. Uncertainty estimation for multivariate regression coefficients. Chemometr. Intell. Lab. Syst. 2002, 64:169-179.
-
(2002)
Chemometr. Intell. Lab. Syst.
, vol.64
, pp. 169-179
-
-
Faber, N.M.1
-
42
-
-
0027530250
-
SIMPLS: an alternative approach to partial least squares regression
-
de Jong S. SIMPLS: an alternative approach to partial least squares regression. Chemometr. Intell. Lab. Syst. 1993, 18:251-263.
-
(1993)
Chemometr. Intell. Lab. Syst.
, vol.18
, pp. 251-263
-
-
de Jong, S.1
-
43
-
-
33745855877
-
The asymptotic variance of the univariate PLS estimator
-
Phatak A., Reilly P.M., Penlidis A. The asymptotic variance of the univariate PLS estimator. Linear Algebra Appl. 2002, 354:245-253.
-
(2002)
Linear Algebra Appl.
, vol.354
, pp. 245-253
-
-
Phatak, A.1
Reilly, P.M.2
Penlidis, A.3
-
44
-
-
55549111173
-
New cut-off criterion for uninformative variable elimination in multivariate calibration of near-infrared spectra for the determination of heroin in illicit street drugs
-
Moros J., Kuligowski J., Quintás G., Garrigues S., de la Guardia M. New cut-off criterion for uninformative variable elimination in multivariate calibration of near-infrared spectra for the determination of heroin in illicit street drugs. Anal. Chim. Acta 2008, 630:150-160.
-
(2008)
Anal. Chim. Acta
, vol.630
, pp. 150-160
-
-
Moros, J.1
Kuligowski, J.2
Quintás, G.3
Garrigues, S.4
de la Guardia, M.5
-
45
-
-
0024034712
-
Partial least-squares methods for spectral analyses. 1. Relation to other quantitative calibration methods and the extraction of qualitative information
-
Haaland D.M., Thomas E.V. Partial least-squares methods for spectral analyses. 1. Relation to other quantitative calibration methods and the extraction of qualitative information. Anal. Chem. 1988, 60:1193-1202.
-
(1988)
Anal. Chem.
, vol.60
, pp. 1193-1202
-
-
Haaland, D.M.1
Thomas, E.V.2
-
47
-
-
0036464756
-
The particle swarm - explosion, stability, and convergence in a multidimensional complex space
-
Clerc M., Kennedy J. The particle swarm - explosion, stability, and convergence in a multidimensional complex space. IEEE Trans. Evol. Comput. 2002, 6:58-73.
-
(2002)
IEEE Trans. Evol. Comput.
, vol.6
, pp. 58-73
-
-
Clerc, M.1
Kennedy, J.2
-
48
-
-
0022059848
-
Linearization and scatter-correction for near-infrared reflectance spectra of meat
-
Geladi P., MacDougall D., Martens H. Linearization and scatter-correction for near-infrared reflectance spectra of meat. Appl. Spectrosc. 1985, 39:491-500.
-
(1985)
Appl. Spectrosc.
, vol.39
, pp. 491-500
-
-
Geladi, P.1
MacDougall, D.2
Martens, H.3
-
49
-
-
0024701578
-
Standard normal variate transformation and de-trending of near-infrared diffuse reflectance spectra
-
Barnes R.J., Dhanoa M.S., Lister S.J. 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
|