Publisher: Elsevier

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Volume 348, Number 1, 20 August 1997

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Performance of the orthogonal least median squares regression
pp. 11-18(8)
Authors: Roesler, J.; Srivatsan, E.; Moatamed, F.; Peters, J.; Livingston, E.H.; Sarabia, L.A.; Ortiz, M.C.; Tomas, X.

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Local prediction models by principal component regression
pp. 29-38(10)
Authors: Xie, Y.; Kalivas, J.H.

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Multivariate calibration transfer applied to the routine polarographic determination of copper, lead, cadmium and zinc
pp. 51-59(9)
Authors: Beahm, E.K.; Evans, G.R.D.; Colome-Grimmer, M.I.; Herrero, A.; Ortiz, M.C.

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Controlling uncertainty in calibration
pp. 61-69(9)
Authors: Bremser, W.; Hasselbarth, W.

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Genetic algorithms as a method for variable selection in multiple linear regression and partial least squares regression, with applications to pyrolysis mass spectrometry
pp. 71-86(16)
Authors: Enayati, P.G.; Traverso, L.W.; Broadhurst, D.; Goodacre, R.; Jones, A.; Rowland, J.J.; Kell, D.B.

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Linear and non-linear multivariate analysis in the quality control of industrial titanium dioxide white pigment
pp. 87-100(14)
Authors: Chang, D.C.; Wilson, S.E.; Majcen, N.; Rius, F.X.; Zupan, J.

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Simultaneous determination of iron(II) and iron(III) by flow injection analysis A mathematical simulation of the detector response
pp. 101-111(11)
Authors: Sauvanet, A.; Chapuis, O.; Hammel, P.; Flejou, J.; Ponsot, P.; Bernades, P.; Belghiti, J.; Novic, M.; Novic, M.; Zupan, J.; Zafran, N.; Pihlar, B.

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On-line automated analytical signal diagnosis in sequential injection analysis systems using artificial neural networks
pp. 113-127(15)
Authors: denys, D.; Kumar, P.; Wong, F.S.; Newman, L.A.; Robbins, K.T.; Ruisanchez, I.; Lozano, J.; Larrechi, M.S.; Rius, F.X.; Zupan, J.

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Quality compromises incorporated in simplex optimisation of a flow injection system
pp. 129-134(6)
Authors: debas, H.T.; Vereda, E.; Rios, A.; Valcarcel, M.

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Computational neural networks for the evaluation of biosensor FIA measurements
pp. 135-141(7)
Authors: Spiro, R.H.; Hitzmann, B.; Ritzka, A.; Ulber, R.; Scheper, T.; Schugerl, K.

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Evaluation of natural computation techniques in the modelling and optimization of a sequential injection flow system for colorimetric iron(III) determination
pp. 143-150(8)
Authors: de Gracia, J.; Saravia, M.L.M.F.S.; Araujo, A.N.; Lima, J.L.F.C.; del Valle, M.; Poch, M.

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Use of pH gradients in continuous-flow systems and multivariate regression techniques applied to the determination of methionine and cysteine in pharmaceuticals
pp. 151-159(9)
Authors: Schuman, E.S.; Standage, B.A.; Ragsdale, J.W.; Gross, G.F.; Blasco, F.; Medina-Hernandez, M.J.; Sagrado, S.

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A new evaluation technique for FIA measurements: projective reference evaluation
pp. 161-166(6)
Authors: Hitzmann, B.; Lohn, A.; Arndt, M.; Ulber, R.; Muller, C.

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Figures of merit in multivariate calibration. Determination of four pesticides in water by flow injection analysis and spectrophotometric detection
pp. 167-175(9)
Authors: McHenry, C.R.; Stenger, D.B.; Calandro, N.K.; Ferre, J.; Boque, R.; Fernandez-Band, B.; Larrechi, M.S.; Rius, F.X.

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Resolution of overlapping peaks in HPLC with diode array detection by application of partial least squares calibration to cross-sections of spectrochromatograms
pp. 177-185(9)
Authors: Garcia, M.D.G.; Frenich, A.G.; Vidal, J.L.M.; Galera, M.M.; de la Pena, A.M.; Salinas, F.

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Global treatment of chromatographic data with MICHROM
pp. 187-196(10)
Authors: Shackleton, C.R.; Goss, J.A.; Swenson, K.; Colquhoun, S.D.; Seu, P.; Kinkhabwala, M.M.; Rudich, S.M.; markowitz, J.S.; McDiarmid, S.V.; Busuttil, R.W.; Torres-Lapasio, J.R.; Garcia-Alvarez-Coque, M.C.; Baeza-Baeza, J.J.

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Analyzing time varying flow composition using multiple input chromatography
pp. 203-214(12)
Authors: Kaljurand, M.; Koel, M.

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Modelling of gas chromatographic retention indices using counterpropagation neural networks
pp. 215-221(7)
Authors: Pompe, M.; Razinger, M.; Novic, M.; Veber, M.

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Sequential response surface methodology for multioptimization in analytical chemistry with three-variable Doehlert designs
pp. 237-246(10)
Authors: Lima, R.A.; Freitas, E.Q.; Kligerman, J.; Paiva, F.P.; Dias, F.L.; Barbosa, M.M.; Sa, G.M.; Soares, J.R.; Campana, A.M.G.; Rodriguez, L.C.; Gonzalez, A.L.; Barrero, F.A.; Ceba, M.R.

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Advantages of a hierarchical system of neural-networks for the interpretation of infrared spectra in structure determination
pp. 255-265(11)
Authors: Southern; Goodman, M.D.; Tarnoff, M.; Kain, M.; Slotman, G.J.; Cleva, C.; Cachet, C.; Cabrol-Bass, D.; Forrest, T.P.

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Chemometric analysis of diffuse reflectance spectra of Co2+-exchanged zeolites: spectroscopic fingerprinting of coordination environments
pp. 267-272(6)
Authors: Sharma, S.; Reddy, V.; Ott, G.; Cobanoglu, A.; Verberckmoes, A.A.; Weckhuysen, B.M.; Schoonheydt, R.A.; Ooms, K.; Langhans, I.

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Diffuse reflectance absorbance spectroscopy taking in chemometrics (DRASTIC). A hyperspectral FT-IR-based approach to rapid screening for metabolite overproduction
pp. 273-282(10)
Authors: Winson, M.K.; Goodacre, R.; Timmins, E.M.; Jones, A.; Alsberg, B.K.; Woodward, A.M.; Rowland, J.J.; Kell, D.B.

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Detection, interpretation and correction of changes in the instrumental response of near-infrared monochromator instruments over time
pp. 283-301(19)
Authors: Ombrellaro, M.P.; Stevens, S.L.; Sciarrotta, J.; Schaeffer, D.O.; Freeman, M.B.; Goldman, M.H.; Bouveresse, E.; Rutan, S.C.; Heyden, Y.V.; Penninckx, W.; Massart, D.L.

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Effective mass sampled by NIR fiber-optic reflectance probes in blending processes
pp. 303-310(8)
Authors: JungHwan, C.; Gemperline, P.J.; Aldridge, P.K.; Sekulic, S.S.

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Data analysis techniques for monitoring excited state kinetics
pp. 311-325(15)
Authors: Bostick, P.; Essner, R.; Sarantou, T.; Kelley, M.; Glass, E.; Foshag, L.; Stern, S.; Morton, D.; Fister, J.C.; Harris, J.M.

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Spectroscopic prediction of nonlinear properties by principal component regression
pp. 345-356(12)
Authors: Litani-Barzilai, I.; Schechter, I.

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Discrimination of the variety and region of origin of extra virgin olive oils using 13C NMR and multivariate calibration with variable reduction
pp. 357-374(18)
Authors: Shaw, A.D.; di Camillo, A.; Vlahov, G.; Jones, A.; Bianchi, G.; Rowland, J.; Kell, D.B.

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Classification of single particles by neural networks based on the computer-controlled scanning electron microscopy data
pp. 375-388(14)
Authors: Williams, R.A.; Black, J.J.; Sinow, R.M.; Wilson, S.E.; Hopke, P.K.; Song, X.

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Classification of pyrolysis mass spectra by fuzzy multivariate rule induction-comparison with regression, K-nearest neighbour, neural and decision-tree methods
pp. 389-407(19)
Authors: Ludwig, D.J.; Traverso, L.W.; Alsberg, B.K.; Goodacre, R.; Rowland, J.J.; Kell, D.B.

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Application of semiempirical method (AM1) to the study of tautomeric equilibria in the gas phase for simple compounds containing the amidine group: 4(5)-substituted imidazoles
pp. 431-441(11)
Authors: Velmahos, G.C.; demetriades, D.; Foianini, E.; Tatevossian, R.; Cornwell, E.E.; Asensio, J.; Belzberg, H.; Berne, T.V.; Raczynska, E.D.

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Expert systems as a tool for the molecular structure elucidation by spectral methods. Strategies of solution to the problems
pp. 443-463(21)
Authors: Elyashberg, M.E.; Karasev, Y.Z.; Martirosian, E.R.; Thiele, H.; Somberg, H.

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Automatic generation of hypermedia
pp. 465-470(6)
Authors: Lorf, T.; Hanack, U.; Ringe, B.; Macher, C.L.; Gloor, A.; Pretsch, E.

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Linear and non-linear modelling techniques for the investigation of spectrum-structure relationships
pp. 471-480(10)
Authors: Vetto, J.T.; Lum, S.; Morris, A.; Sicotte, M.; Davis, J.; Lemon, M.; Weinberg, A.; Luinge, H.J.; Langoor, M.H.; van der Maas, J.H.

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QSAR study of inclusion complexes of heterocyclic compounds with -cyclodextrin
pp. 489-493(5)
Authors: Disa, J.J.; Winters, R.M.; Hidalgo, D.A.; Carpignano, R.; Marzona, M.; Cattaneo, E.; Quaranta, S.

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Linear data projection using a feedforward neural network
pp. 495-501(7)
Authors: Cleij, P.; Hoogerbrugge, R.

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Neural network based electronic nose for the classification of aromatic species
pp. 503-509(7)
Authors: Brezmes, J.; Ferreras, B.; Llobet, E.; Vilanova, X.; Correig, X.

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On mass spectrometer instrument standardization and interlaboratory calibration transfer using neural networks
pp. 511-532(22)
Authors: Goodacre, R.; Timmins, E.M.; Jones, A.; Kell, D.B.; Maddock, J.; Heginbothom, M.L.; Magee, J.T.

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GINN (Genetic Inside Neural Network): towards a non-parametric training
pp. 533-542(10)
Authors: Jacobi, C.A.; Ordemann, J.; Bohm, B.; Zieren, H.U.; Sabat, R.; Muller, J.M.; Sanchez, M.S.; Sarabia, L.A.

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