메뉴 건너뛰기




Volumn 500, Issue 1-2, 2003, Pages 365-377

The evolution of chemometrics

Author keywords

Chemometrics; Mixture resolution; Multivariate calibration; Pattern recognition

Indexed keywords

COMPUTATIONAL COMPLEXITY; COMPUTATIONAL METHODS; OPTIMIZATION; STATISTICAL TESTS;

EID: 0345603574     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0003-2670(03)00944-9     Document Type: Conference Paper
Times cited : (125)

References (95)
  • 2
    • 0011148691 scopus 로고
    • Statistical and mathematical methods in analytical chemistry
    • Currie L.A., Filliben J.J., DeVoe J.R. Statistical and mathematical methods in analytical chemistry. Anal. Chem. 44:1972;497R-512R.
    • (1972) Anal. Chem. , vol.44
    • Currie, L.A.1    Filliben, J.J.2    Devoe, J.R.3
  • 4
    • 0345686104 scopus 로고
    • Chemometrics: Views and propositions
    • Kowalski B.R. Chemometrics: views and propositions. J. Chem. Inf. Comp. Sci. 15:1975;201-203.
    • (1975) J. Chem. Inf. Comp. Sci. , vol.15 , pp. 201-203
    • Kowalski, B.R.1
  • 8
    • 0023536423 scopus 로고
    • Application of computerized infrared spectroscopy to the analysis of the principal lipids found in blood serum
    • G.L. McClure (Ed.), ASTM Special Technical Publication 934, American Society of Testing Materials, Philadelphia, PA
    • G.L. McClure, P.B. Roush, J.F. Williams, C. Lehmann, Application of computerized infrared spectroscopy to the analysis of the principal lipids found in blood serum, in: G.L. McClure (Ed.), Computerized Quantitative Infrared Analysis, ASTM Special Technical Publication 934, American Society of Testing Materials, Philadelphia, PA, 1987, pp. 131-179.
    • (1987) Computerized Quantitative Infrared Analysis , pp. 131-179
    • McClure, G.L.1    Roush, P.B.2    Williams, J.F.3    Lehmann, C.4
  • 9
    • 0033627050 scopus 로고    scopus 로고
    • A transparent tool for seemingly difficult calibrations: The parallel calibration method
    • Spiegelman C.H., Bennett J., Vannucci M., McShane M.J., Coté G.L. A transparent tool for seemingly difficult calibrations: the parallel calibration method. Anal. Chem. 72:2000;135-140.
    • (2000) Anal. Chem. , vol.72 , pp. 135-140
    • Spiegelman, C.H.1    Bennett, J.2    Vannucci, M.3    McShane, M.J.4    Coté, G.L.5
  • 11
    • 0026652598 scopus 로고
    • Optimization using variations of simulated annealing
    • Kalivas J.H. Optimization using variations of simulated annealing. Chemom. Intell. Lab. Syst. 15:1992;1-12.
    • (1992) Chemom. Intell. Lab. Syst. , vol.15 , pp. 1-12
    • Kalivas, J.H.1
  • 12
  • 13
    • 0022758683 scopus 로고
    • Generalized simulated annealing for function optimization
    • Bohachevsky I.O., Johnson M.E., Stein M.L. Generalized simulated annealing for function optimization. Technometrics. 28:1986;209-217.
    • (1986) Technometrics , vol.28 , pp. 209-217
    • Bohachevsky, I.O.1    Johnson, M.E.2    Stein, M.L.3
  • 14
    • 0030053412 scopus 로고    scopus 로고
    • Solving the chemical mass balance problem using an artificial neural network
    • Song X.H., Hopke P.K. Solving the chemical mass balance problem using an artificial neural network. Environ. Sci. Technol. 30:1996;531-535.
    • (1996) Environ. Sci. Technol. , vol.30 , pp. 531-535
    • Song, X.H.1    Hopke, P.K.2
  • 31
    • 0001530159 scopus 로고
    • Spectroscopic calibration and quantitation using artificial neural networks
    • Long J.R., Gregoriou V.G., Gemperline P.J. Spectroscopic calibration and quantitation using artificial neural networks. Anal. Chem. 62:1990;1791-1797.
    • (1990) Anal. Chem. , vol.62 , pp. 1791-1797
    • Long, J.R.1    Gregoriou, V.G.2    Gemperline, P.J.3
  • 39
    • 0026698749 scopus 로고
    • Exploration of multivariate chemical data by projection pursuit
    • Glover D.M., Hopke P.K. Exploration of multivariate chemical data by projection pursuit. Chemom. Intell. Lab. Syst. 16:1992;45-59.
    • (1992) Chemom. Intell. Lab. Syst. , vol.16 , pp. 45-59
    • Glover, D.M.1    Hopke, P.K.2
  • 42
    • 84911584312 scopus 로고
    • Shortest connection networks and some generalizations
    • Prim R.C. Shortest connection networks and some generalizations. Bull. Syst. Tech. J. 36:1958;1389-1401.
    • (1958) Bull. Syst. Tech. J. , vol.36 , pp. 1389-1401
    • Prim, R.C.1
  • 43
    • 0028355877 scopus 로고
    • Projection of Prim's minimal spanning tree into Kohonen's neural network for identification of airborne particle sources by their multielement trace patterns
    • Wienke D., Hopke P.K. Projection of Prim's minimal spanning tree into Kohonen's neural network for identification of airborne particle sources by their multielement trace patterns. Anal Chim. Acta. 291:1994;1-18.
    • (1994) Anal Chim. Acta , vol.291 , pp. 1-18
    • Wienke, D.1    Hopke, P.K.2
  • 44
    • 0017120827 scopus 로고
    • Adaptive pattern classification and universal recoding. I. Parallel development and coding of neural feature detectors
    • Grossberg S. Adaptive pattern classification and universal recoding. I. Parallel development and coding of neural feature detectors. Biol. Cybern. 23:1976;121-134.
    • (1976) Biol. Cybern. , vol.23 , pp. 121-134
    • Grossberg, S.1
  • 45
    • 0017083148 scopus 로고
    • Adaptive pattern classification and universal recoding. II. Feedback, expectation, olfaction, and illusions
    • Grossberg S. Adaptive pattern classification and universal recoding. II. Feedback, expectation, olfaction, and illusions. Biol. Cybern. 23:1976;187-203.
    • (1976) Biol. Cybern. , vol.23 , pp. 187-203
    • Grossberg, S.1
  • 46
    • 0025786440 scopus 로고
    • ART-2a - An adaptive resonance algorithm for rapid category learning and recognition
    • Carpenter G.A., Grossberg S., Rosen D.B. ART-2a - an adaptive resonance algorithm for rapid category learning and recognition. Neural Netw. 4:1991;493-504.
    • (1991) Neural Netw. , vol.4 , pp. 493-504
    • Carpenter, G.A.1    Grossberg, S.2    Rosen, D.B.3
  • 47
    • 0029028042 scopus 로고
    • Adaptive resonance theory based neural networks - The 'ART' of real-time pattern recognition in chemical process monitoring
    • Wienke D., Buydens L. Adaptive resonance theory based neural networks - the 'ART' of real-time pattern recognition in chemical process monitoring. Trends Anal. Chem. 14:1995;398-406.
    • (1995) Trends Anal. Chem. , vol.14 , pp. 398-406
    • Wienke, D.1    Buydens, L.2
  • 48
    • 0027996269 scopus 로고
    • Airborne particle classification with a combination of chemical composition and shape index utilizing an adaptive resonance artificial neural network
    • Xie Y., Hopke P.K., Wienke D. Airborne particle classification with a combination of chemical composition and shape index utilizing an adaptive resonance artificial neural network. Environ. Sci. Technol. 28:1994;1921-1928.
    • (1994) Environ. Sci. Technol. , vol.28 , pp. 1921-1928
    • Xie, Y.1    Hopke, P.K.2    Wienke, D.3
  • 49
    • 0033558244 scopus 로고    scopus 로고
    • Classification of single particles analyzed by ATOFMS using an artificial neural network, ART-2a
    • Song X.-H., Hopke P.K., Fergenson D.P., Prather K.A. Classification of single particles analyzed by ATOFMS using an artificial neural network, ART-2a. Anal. Chem. 71:1999;860-865.
    • (1999) Anal. Chem. , vol.71 , pp. 860-865
    • Song, X.-H.1    Hopke, P.K.2    Fergenson, D.P.3    Prather, K.A.4
  • 54
    • 0016973661 scopus 로고
    • Pattern recognition by means of disjoint principal components models
    • Wold S. Pattern recognition by means of disjoint principal components models. Pattern Recog. 8:1976;127-139.
    • (1976) Pattern Recog. , vol.8 , pp. 127-139
    • Wold, S.1
  • 55
    • 0002409366 scopus 로고
    • UNEQ: A disjoint modelling technique for pattern recognition based on normal distribution
    • Derde M.P., Massart D.L. UNEQ: a disjoint modelling technique for pattern recognition based on normal distribution. Anal. Chim. Acta. 184:1986;33-51.
    • (1986) Anal. Chim. Acta , vol.184 , pp. 33-51
    • Derde, M.P.1    Massart, D.L.2
  • 56
    • 0023381976 scopus 로고
    • Comparison of rule-building expert systems with pattern recognition for the classification of analytical data
    • Derde M.-P., Buydens L., Guns C., Massart D.L., Hopke P.K. Comparison of rule-building expert systems with pattern recognition for the classification of analytical data. Anal. Chem. 59:1987;1868-1871.
    • (1987) Anal. Chem. , vol.59 , pp. 1868-1871
    • Derde, M.-P.1    Buydens, L.2    Guns, C.3    Massart, D.L.4    Hopke, P.K.5
  • 57
    • 0001857179 scopus 로고
    • Learning efficient classification procedures and their application to chess end games
    • R.S. Micahlski, J.G. Carbonell, T.M. Mitchell (Eds.), Tioga, Palo Alto, CA
    • J.R. Quinlin, Learning efficient classification procedures and their application to chess end games, in: R.S. Micahlski, J.G. Carbonell, T.M. Mitchell (Eds.), Machine Learning: An Artificial Intelligence Approach, Tioga, Palo Alto, CA, 1983, pp. 463-482.
    • (1983) Machine Learning: An Artificial Intelligence Approach , pp. 463-482
    • Quinlin, J.R.1
  • 60
    • 0021890029 scopus 로고
    • A Quantitative Assessment of Source Contributions to Inhalable Particulate Matter Pollution in Metropolitan Boston
    • Thurston G.D., Spengler J.D. A Quantitative Assessment of Source Contributions to Inhalable Particulate Matter Pollution in Metropolitan Boston. Atmos. Environ. 19:1985;9-25.
    • (1985) Atmos. Environ. , vol.19 , pp. 9-25
    • Thurston, G.D.1    Spengler, J.D.2
  • 63
    • 72249110121 scopus 로고
    • Self-modeling curve resolution
    • Lawton W.H., Sylvestre E.A. Self-modeling curve resolution. Technometrics. 13:1971;617-633.
    • (1971) Technometrics , vol.13 , pp. 617-633
    • Lawton, W.H.1    Sylvestre, E.A.2
  • 64
    • 0026675184 scopus 로고
    • Self-modeling mixture analysis of spectra data with continuous concentration profiles
    • Windig W. Self-modeling mixture analysis of spectra data with continuous concentration profiles. Chemom. Intell. Lab. Syst. 16:1992;1-16.
    • (1992) Chemom. Intell. Lab. Syst. , vol.16 , pp. 1-16
    • Windig, W.1
  • 65
    • 0019656309 scopus 로고
    • Comparison of weighted and unweighted target transformation rotations in factor analysis
    • Roscoe B.A., Hopke P.K. Comparison of weighted and unweighted target transformation rotations in factor analysis. Comput. Chem. 5:1981;1-7.
    • (1981) Comput. Chem. , vol.5 , pp. 1-7
    • Roscoe, B.A.1    Hopke, P.K.2
  • 66
    • 4243309715 scopus 로고
    • Multicomponent self-modeling curve resolution in high-performance liquid chromatography by iterative target transformation factor analysis
    • Vandeginste B.G.M., Derks W., Kateman G. Multicomponent self-modeling curve resolution in high-performance liquid chromatography by iterative target transformation factor analysis. Anal. Chim. Acta. 173:1985;253-264.
    • (1985) Anal. Chim. Acta , vol.173 , pp. 253-264
    • Vandeginste, B.G.M.1    Derks, W.2    Kateman, G.3
  • 68
    • 0027477211 scopus 로고
    • Window evolving factor analysis for assessment of peak homogeneity in liquid chromatography
    • Keller H.R., Massart D.L., De Beer J.O. Window evolving factor analysis for assessment of peak homogeneity in liquid chromatography. Anal. Chem. 65:1993;471-475.
    • (1993) Anal. Chem. , vol.65 , pp. 471-475
    • Keller, H.R.1    Massart, D.L.2    De Beer, J.O.3
  • 69
    • 0025285139 scopus 로고
    • Extension of self-modeling curve resolution to mixtures of more than three components
    • Henry R.C., Kim B.M. Extension of self-modeling curve resolution to mixtures of more than three components. Chemom. Intell. Lab. Syst. 8:1990;205-216.
    • (1990) Chemom. Intell. Lab. Syst. , vol.8 , pp. 205-216
    • Henry, R.C.1    Kim, B.M.2
  • 70
    • 0032782503 scopus 로고    scopus 로고
    • Extension of self-modeling curve resolution to mixtures of more than three components. Part 2. Finding the complete solution
    • Kim B.M., Henry R.C. Extension of self-modeling curve resolution to mixtures of more than three components. Part 2. Finding the complete solution. Chemom. Intell. Lab. Syst. 49:1999;67-77.
    • (1999) Chemom. Intell. Lab. Syst. , vol.49 , pp. 67-77
    • Kim, B.M.1    Henry, R.C.2
  • 71
    • 0038008111 scopus 로고    scopus 로고
    • Extension of self-modeling curve resolution to mixtures of more than three components. Part 3. Atmospheric aerosol data simulation studies
    • Kim B.M., Henry R.C. Extension of self-modeling curve resolution to mixtures of more than three components. Part 3. Atmospheric aerosol data simulation studies. Chemom. Intell. Lab. Syst. 52:2000;145-154.
    • (2000) Chemom. Intell. Lab. Syst. , vol.52 , pp. 145-154
    • Kim, B.M.1    Henry, R.C.2
  • 72
    • 0028431029 scopus 로고
    • Vehicle-related hydrocarbon source compositions from ambient data: The GRACE/SAFER method
    • Henry R.C., Lewis C.B., Collins J.F. Vehicle-related hydrocarbon source compositions from ambient data: the GRACE/SAFER method. Environ. Sci. Technol. 28:1994;823-832.
    • (1994) Environ. Sci. Technol. , vol.28 , pp. 823-832
    • Henry, R.C.1    Lewis, C.B.2    Collins, J.F.3
  • 73
    • 0033626795 scopus 로고    scopus 로고
    • Application of SAFER model to the Los Angeles PM10 data
    • Kim B.M., Henry R.C. Application of SAFER model to the Los Angeles PM10 data. Atmos. Environ. 34:2000;1747-1759.
    • (2000) Atmos. Environ. , vol.34 , pp. 1747-1759
    • Kim, B.M.1    Henry, R.C.2
  • 74
  • 75
    • 0027466983 scopus 로고
    • Analysis of different modes of factor analysis as least-squares fit problems
    • Paatero P., Tapper U. Analysis of different modes of factor analysis as least-squares fit problems. Chemom. Intell. Lab. Syst. 18:1993;183-194.
    • (1993) Chemom. Intell. Lab. Syst. , vol.18 , pp. 183-194
    • Paatero, P.1    Tapper, U.2
  • 76
    • 0030954231 scopus 로고    scopus 로고
    • Least-squares formulation of robust, non-negative factor analysis
    • Paatero P. Least-squares formulation of robust, non-negative factor analysis. Chemom. Intell. Lab. Syst. 37:1997;23-35.
    • (1997) Chemom. Intell. Lab. Syst. , vol.37 , pp. 23-35
    • Paatero, P.1
  • 77
    • 0028990423 scopus 로고
    • Application of positive matrix factorization to source apportionment: Results of a study of bulk deposition chemistry in Finland
    • Anttila P., Paatero P., Tapper U., Järvinen O. Application of positive matrix factorization to source apportionment: results of a study of bulk deposition chemistry in Finland. Atmos. Environ. 29:1995;1705-1718.
    • (1995) Atmos. Environ. , vol.29 , pp. 1705-1718
    • Anttila, P.1    Paatero, P.2    Tapper, U.3    Järvinen, O.4
  • 78
    • 0028581363 scopus 로고
    • Analysis of daily precipitation data by positive matrix factorization
    • Juntto S., Paatero P. Analysis of daily precipitation data by positive matrix factorization. Environmetrics. 5:1994;127-144.
    • (1994) Environmetrics , vol.5 , pp. 127-144
    • Juntto, S.1    Paatero, P.2
  • 79
    • 0033179520 scopus 로고    scopus 로고
    • Application of positive matrix factorization in source apportionment of particulate pollutants in Hong Kong
    • Lee E., Chan C.K., Paatero P. Application of positive matrix factorization in source apportionment of particulate pollutants in Hong Kong. Atmos. Environ. 33:1999;3201-3212.
    • (1999) Atmos. Environ. , vol.33 , pp. 3201-3212
    • Lee, E.1    Chan, C.K.2    Paatero, P.3
  • 80
    • 0033575035 scopus 로고    scopus 로고
    • Testing and optimizing two factor-analysis techniques on aerosol at Narragansett, Rhode Island
    • Huang S., Rahn K.A., Arimoto R. Testing and optimizing two factor-analysis techniques on aerosol at Narragansett, Rhode Island. Atmos. Environ. 33:1999;2169-2185.
    • (1999) Atmos. Environ. , vol.33 , pp. 2169-2185
    • Huang, S.1    Rahn, K.A.2    Arimoto, R.3
  • 81
    • 0035577066 scopus 로고    scopus 로고
    • Atmospheric aerosol over vermont: Chemical composition and sources
    • Polissar A.V., Hopke P.K., Poirot R.L. Atmospheric aerosol over vermont: chemical composition and sources. Environ. Sci. Technol. 35:2001;4604-4621.
    • (2001) Environ. Sci. Technol. , vol.35 , pp. 4604-4621
    • Polissar, A.V.1    Hopke, P.K.2    Poirot, R.L.3
  • 82
    • 0000827862 scopus 로고    scopus 로고
    • Positive matrix factorization applied to curve resolution problem
    • Xie Y.-L., Hopke P.K., Paatero P. Positive matrix factorization applied to curve resolution problem. J. Chemom. 12:1998;357-364.
    • (1998) J. Chemom. , vol.12 , pp. 357-364
    • Xie, Y.-L.1    Hopke, P.K.2    Paatero, P.3
  • 84
    • 0033026306 scopus 로고    scopus 로고
    • Calibration transfer as a data reconstruction problem
    • Xie Y.-L., Hopke P.K., Paatero P. Calibration transfer as a data reconstruction problem. Anal. Chim. Acta. 384:1999;193-205.
    • (1999) Anal. Chim. Acta , vol.384 , pp. 193-205
    • Xie, Y.-L.1    Hopke, P.K.2    Paatero, P.3
  • 85
    • 0024847384 scopus 로고
    • Analysis of multi-way (multi-mode) data
    • Geladi P. Analysis of multi-way (multi-mode) data. Chemom. Intell. Lab. Syst. 7:1989;11-30.
    • (1989) Chemom. Intell. Lab. Syst. , vol.7 , pp. 11-30
    • Geladi, P.1
  • 86
    • 0028066826 scopus 로고
    • N-way principal components analysis: Theory, algorithms, and applications
    • Henrion R. N-way principal components analysis: theory, algorithms, and applications. Chemom. Intell. Lab. Syst. 25:1994;1-23.
    • (1994) Chemom. Intell. Lab. Syst. , vol.25 , pp. 1-23
    • Henrion, R.1
  • 87
    • 0030775193 scopus 로고    scopus 로고
    • A weighted non-negative least-squares algorithm for three-way 'PARAFAC' factor analysis
    • Paatero P. A weighted non-negative least-squares algorithm for three-way 'PARAFAC' factor analysis. Chemom. Intell. Lab. Syst. 38:1997;223-242.
    • (1997) Chemom. Intell. Lab. Syst. , vol.38 , pp. 223-242
    • Paatero, P.1
  • 88
    • 0035249674 scopus 로고    scopus 로고
    • Application of a multi-way method to study long-term stability in ICP-AES
    • Marcos A., Foulkes M., Hill S.J. Application of a multi-way method to study long-term stability in ICP-AES. J. Anal. Atmos. Spectrom. 16:2001;105-114.
    • (2001) J. Anal. Atmos. Spectrom. , vol.16 , pp. 105-114
    • Marcos, A.1    Foulkes, M.2    Hill, S.J.3
  • 89
    • 0003151553 scopus 로고
    • A new receptor model: Direct trilinear decomposition followed by a matrix reconstruction
    • Zeng Y., Hopke P.K. A new receptor model: direct trilinear decomposition followed by a matrix reconstruction. J. Chemom. 6:1992;65-83.
    • (1992) J. Chemom. , vol.6 , pp. 65-83
    • Zeng, Y.1    Hopke, P.K.2
  • 91
    • 0037469083 scopus 로고    scopus 로고
    • Recent developments in CANDECOMP/PARAFAC algorithms: A critical review
    • Faber N.M., Bro R., Hopke P.K. Recent developments in CANDECOMP/PARAFAC algorithms: a critical review. Chemom. Intell. Lab. Syst. 65:2003;119-137.
    • (2003) Chemom. Intell. Lab. Syst. , vol.65 , pp. 119-137
    • Faber, N.M.1    Bro, R.2    Hopke, P.K.3
  • 94
    • 0037427645 scopus 로고    scopus 로고
    • Application of modified alternating least-squares regression to spectroscopic image analysis
    • Wang J.-H., Hopke P.K., Hancewicz T.M., Zhang S.L. Application of modified alternating least-squares regression to spectroscopic image analysis. Anal. Chim. Acta. 476:2003;93-109.
    • (2003) Anal. Chim. Acta , vol.476 , pp. 93-109
    • Wang, J.-H.1    Hopke, P.K.2    Hancewicz, T.M.3    Zhang, S.L.4
  • 95
    • 0035852405 scopus 로고    scopus 로고
    • Equation-oriented system (EOS): An efficient programming approach to solve multilinear and polynomial equations by the conjugate gradient algorithm
    • Wang J.-H., Hopke P.K. Equation-oriented system (EOS): an efficient programming approach to solve multilinear and polynomial equations by the conjugate gradient algorithm. Chemom. Intell. Lab. Syst. 55:2001;13-22.
    • (2001) Chemom. Intell. Lab. Syst. , vol.55 , pp. 13-22
    • Wang, J.-H.1    Hopke, P.K.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.