Nonlinear multivariate calibration using principal components regression and artificial neural networks

[1]  A Darvill,et al.  Identification of the 1H-NMR spectra of complex oligosaccharides with artificial neural networks , 1991, Science.

[2]  H. Craig.  Isotopic standards for carbon and oxygen and correction factors for mass-spectrometric analysis of carbon dioxide , 1957 .

[3]  R. Nyquist.  Infrared Study of Maleic Anhydride in Solvent Systems , 1990 .

[4]  Peter A. Jansson,et al.  Neural Networks: An Overview , 1991 .

[5]  Jeffrey J. Kelly,et al.  Measurement of caustic and caustic brine solutions by spectroscopic detection of the hydroxide ion in the near-infrared region, 700-1150 nm , 1989 .

[6]  G. Martin,et al.  A site-specific and multielement approach to the determination of liquid-vapor isotope fractionation parameters: the case of alcohols , 1990 .

[7]  P. Gemperline,et al.  Spectroscopic calibration and quantitation using artificial neural networks , 1990 .

[8]  Tormod Næs,et al.  Multivariate Calibration When the Error Covariance Matrix Is Structured , 1985 .

[9]  D. Schoeller,et al.  Intramolecular isotopic order in biologically produced acetic acid. , 1974, Biomedical mass spectrometry.

[10]  C. M. Paralusz.  Near-Infrared Reflectance Analysis for Silicone Coating Weights , 1989 .

[11]  E. Roth,et al.  ABSOLUTE ISOTOPIC SCALE FOR DEUTERIUM ANALYSIS OF NATURAL WATERS. ABSOLUTE D/H RATIO FOR SMOW. , 1970 .

[12]  P. Kościelniak,et al.  Efficient application of non-linear transformation of factors in empirical modelling based on experimental designs , 1985 .

[13]  Paul J. Gemperline,et al.  Principal components regression for routine multicomponent UV determinations: A validation protocol , 1989 .

[14]  Silvia Lanteri,et al.  ACE: A non-linear regression model , 1988 .

[15]  J. Hayes,et al.  Evidence from carbon isotope measurements for diverse origins of sedimentary hydrocarbons , 1990, Nature.

[16]  H. Craig,et al.  Standard for Reporting Concentrations of Deuterium and Oxygen-18 in Natural Waters , 1961, Science.

[17]  P. G. Hoffman,et al.  Isolation and stable isotope ratio analysis of vanillin , 1979 .

[18]  C. Guillou,et al.  Repeatability and reproducibility of site‐specific isotope ratios in quantitative 2H NMR , 1988 .

[19]  Paul J. Gemperline,et al.  Mixture analysis using factor analysis I: Calibration and quantitation , 1989 .

[20]  R. Nyquist.  Solvent-Induced Carbonyl Frequency Shifts: Cyclopentanone and Cyclohexanone , 1990 .

[21]  J. Callis,et al.  Prediction of gasoline octane numbers from near-infrared spectral features in the range 660-1215 nm , 1989 .

[22]  G. Martin,et al.  Precision, accuracy and referencing of isotope ratios determined by nuclear magnetic resonance , 1988 .

[23]  D. Krueger,et al.  Comparison of two methods for determining intramolecular 13C/12C ratios of acetic acid , 1984 .

[24]  E. Schmid,et al.  Intramolecular 13C/12C isotope ratios of acetic acid of biological and synthetic origin , 1981 .

[25]  Use of13C/12C ratios for studying the origin of CO2 in sparkling wines , 1982 .

[26]  S P Levine,et al.  Spectral peak verification and recognition using a multilayered neural network. , 1990, Analytical chemistry.

[27]  J. Hayes,et al.  Carbon isotopic fractionations associated with acetic acid production by Acetobacter suboxydans. , 1974, Biomedical mass spectrometry.

[28]  L. E. Wangen,et al.  A theoretical foundation for the PLS algorithm , 1987 .

[29]  Gerald M. Maggiora,et al.  Applications of neural networks in chemistry. 1. Prediction of electrophilic aromatic substitution reactions , 1990, J. Chem. Inf. Comput. Sci..

[30]  Andreas Roflmann,et al.  Nachweis der Herkunft von Ethanol und der Zuckerung von Wein durch positionelle Wasserstoff- und Kohlenstoff-Isotopenverhältnis-Messung , 1989 .

[31]  T. Næs,et al.  Locally weighted regression and scatter correction for near-infrared reflectance data , 1990 .

[32]  T. Næs,et al.  The Effect of Multiplicative Scatter Correction (MSC) and Linearity Improvement in NIR Spectroscopy , 1988 .

[33]  M. J. Deniro,et al.  Mechanism of carbon isotope fractionation associated with lipid synthesis. , 1977, Science.

[34]  J. U. Thomsen,et al.  Pattern recognition of the 1H NMR spectra of sugar alditols using a neural network , 1989 .

[35]  R. Sturgeon,et al.  Atomic absorption determination of lead at picogram per gram levels by ethylation with in situ concentration in a graphite furnace , 1989 .