Discrimination of wines based on 2D NMR spectra using learning vector quantization neural networks and partial least squares discriminant analysis

Saeed Masoum; Delphine Jouan-Rimbaud Bouveresse; Joseph Vercauteren; Mehdi Jalali-Heravi; Douglas Neil Rutledge

doi:10.1016/j.aca.2005.11.015

Discrimination of wines based on 2D NMR spectra using learning vector quantization neural networks and partial least squares discriminant analysis

Analytica Chimica Acta ◽

10.1016/j.aca.2005.11.015 ◽

2006 ◽

Vol 558 (1-2) ◽

pp. 144-149 ◽

Cited By ~ 28

Author(s):

Saeed Masoum ◽

Delphine Jouan-Rimbaud Bouveresse ◽

Joseph Vercauteren ◽

Mehdi Jalali-Heravi ◽

Douglas Neil Rutledge

Keyword(s):

Neural Networks ◽

Discriminant Analysis ◽

Least Squares ◽

Partial Least Squares ◽

Vector Quantization ◽

Nmr Spectra ◽

2D Nmr ◽

Learning Vector Quantization ◽

2D Nmr Spectra

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Authentication of Douro DO monovarietal red wines based on anthocyanin profile: Comparison of partial least squares – discriminant analysis, decision trees and artificial neural networks

Food Control ◽

10.1016/j.foodcont.2021.107979 ◽

2021 ◽

Vol 125 ◽

pp. 107979

Author(s):

Fernanda Cosme ◽

Juliana Milheiro ◽

Joana Pires ◽

Fernanda Isabel Guerra-Gomes ◽

Luís Filipe-Ribeiro ◽

...

Keyword(s):

Neural Networks ◽

Artificial Neural Networks ◽

Discriminant Analysis ◽

Least Squares ◽

Decision Trees ◽

Partial Least Squares ◽

Red Wines ◽

Anthocyanin Profile ◽

Artificial Neural

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Development of models for predicting toxicity from sediment chemistry by partial least squares-discriminant analysis and counter-propagation artificial neural networks

Environmental Pollution ◽

10.1016/j.envpol.2009.08.007 ◽

2010 ◽

Vol 158 (2) ◽

pp. 607-614 ◽

Cited By ~ 25

Author(s):

Manuel Alvarez-Guerra ◽

Davide Ballabio ◽

José Manuel Amigo ◽

Rasmus Bro ◽

Javier R. Viguri

Keyword(s):

Neural Networks ◽

Artificial Neural Networks ◽

Discriminant Analysis ◽

Least Squares ◽

Partial Least Squares ◽

Sediment Chemistry ◽

Artificial Neural

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Estimation of Signal Intensities in 2D NMR Spectra with Severe Baseline Distortion by Combined Linear-Prediction and Least-Squares Analyses

Journal of Magnetic Resonance Series B ◽

10.1006/jmrb.1996.0130 ◽

1996 ◽

Vol 112 (2) ◽

pp. 193-196 ◽

Cited By ~ 6

Author(s):

Søren M. Kristensen ◽

Morten Dahl Sørensen ◽

Henrik Gesmar ◽

Jens J. Led

Keyword(s):

Least Squares ◽

Nmr Spectra ◽

Linear Prediction ◽

2D Nmr ◽

2D Nmr Spectra ◽

Signal Intensities

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Simple Least-Squares Estimation of Intensities of Overlapping Signals in 2D NMR Spectra

Journal of Magnetic Resonance Series B ◽

10.1006/jmrb.1994.1002 ◽

1994 ◽

Vol 103 (1) ◽

pp. 10-18 ◽

Cited By ~ 8

Author(s):

H. Gesmar ◽

P.F. Nielsen ◽

J.J. Led

Keyword(s):

Least Squares ◽

Nmr Spectra ◽

2D Nmr ◽

Least Squares Estimation ◽

2D Nmr Spectra

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A general Bayesian method for an automated signal class recognition in 2D NMR spectra combined with a multivariate discriminant analysis

Journal of Biomolecular NMR ◽

10.1007/bf00211755 ◽

1995 ◽

Vol 5 (3) ◽

Cited By ~ 30

Author(s):

Christoph Antz ◽

Klaus-Peter Neidig ◽

HansRobert Kalbitzer

Keyword(s):

Discriminant Analysis ◽

Nmr Spectra ◽

Bayesian Method ◽

2D Nmr ◽

Multivariate Discriminant Analysis ◽

2D Nmr Spectra ◽

Multivariate Discriminant

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Migrating from partial least squares discriminant analysis to artificial neural networks: a comparison of functionally equivalent visualisation and feature contribution tools using jupyter notebooks

Metabolomics ◽

10.1007/s11306-020-1640-0 ◽

2020 ◽

Vol 16 (2) ◽

Cited By ~ 2

Author(s):

Kevin M. Mendez ◽

David I. Broadhurst ◽

Stacey N. Reinke

Keyword(s):

Neural Networks ◽

Artificial Neural Networks ◽

Discriminant Analysis ◽

Least Squares ◽

Partial Least Squares ◽

Artificial Neural

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Faculty Opinions recommendation of A consensus orthogonal partial least squares discriminant analysis (OPLS-DA) strategy for multiblock Omics data fusion.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.722682169.793534129 ◽

2017 ◽

Author(s):

Robert Powers ◽

Eli Riekeberg

Keyword(s):

Discriminant Analysis ◽

Data Fusion ◽

Least Squares ◽

Partial Least Squares ◽

Omics Data

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Partial least squares modeling of combined infrared, 1H NMR and 13C NMR spectra to predict long residue properties of crude oils

Vibrational Spectroscopy ◽

10.1016/j.vibspec.2009.04.009 ◽

2009 ◽

Vol 51 (2) ◽

pp. 205-212 ◽

Cited By ~ 27

Author(s):

Peter de Peinder ◽

Tom Visser ◽

Derek D. Petrauskas ◽

Fabien Salvatori ◽

Fouad Soulimani ◽

...

Keyword(s):

Least Squares ◽

Partial Least Squares ◽

1H Nmr ◽

13C Nmr ◽

Nmr Spectra ◽

Crude Oils ◽

13C Nmr Spectra

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Improved frequency selectivity for presaturation of H2O in 2D NMR spectra of proteins

Journal of Magnetic Resonance (1969) ◽

10.1016/0022-2364(90)90272-b ◽

1990 ◽

Vol 86 (2) ◽

pp. 400-405

Author(s):

Michael G Zagorski

Keyword(s):

Nmr Spectra ◽

2D Nmr ◽

Frequency Selectivity ◽

2D Nmr Spectra

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Comparison of partial least squares‐discriminant analysis and soft independent modeling of class analogy methods for classification of Saccharomyces cerevisiae cells based on mid‐infrared spectroscopy

Journal of Chemometrics ◽

10.1002/cem.3340 ◽

2021 ◽

Author(s):

Pedro Sousa Sampaio ◽

Cecília R. C. Calado

Keyword(s):

Saccharomyces Cerevisiae ◽

Infrared Spectroscopy ◽

Discriminant Analysis ◽

Least Squares ◽

Partial Least Squares ◽

Mid Infrared ◽

Mid Infrared Spectroscopy

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