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dc.contributor.author
Goodarzi, Mohammad
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dc.contributor.author
Bacelo, Daniel Enrique
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dc.contributor.author
Fioressi, Silvina Ethel
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dc.contributor.author
Duchowicz, Pablo Román
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dc.date.available
2020-11-11T20:19:36Z
dc.date.issued
2019-03
dc.identifier.citation
Goodarzi, Mohammad; Bacelo, Daniel Enrique; Fioressi, Silvina Ethel; Duchowicz, Pablo Román; Replacement Orthogonal Wavelengths Selection as a new method for multivariate calibration in spectroscopy; Elsevier Science; Microchemical Journal; 145; 3-2019; 872-882
dc.identifier.issn
0026-265X
dc.identifier.uri
http://hdl.handle.net/11336/118221
dc.description.abstract
Wavelength selection is a critical step in multivariate calibration. Variable selection methods are used to find the most relevant variables, leading to improved prediction accuracy, while simplifying both the built models and their interpretation. In addition, different spectrophotometer designs and measurement principles result in non-destructive technologies applied in many fields, such as agriculture, food chemistry and pharmaceutics. However, an on-chip or portable device does not allow acquiring data from a large number of wavelengths. Therefore, the most informative combination of a limited number of variables should be selected. The Replacement Orthogonal Wavelengths Selection (ROWS) method is described here as a new method. This algorithm aims at selecting as few wavelengths as possible, while keeping or improving the prediction performance of the model, compared to when no variable selection is applied. The ROWS is applied to several near infrared spectroscopic data sets leading to improved analytical figures of merits upon wavelength selection in comparison to a built PLS model using entire spectral range. The performance of the ROWS-MLR method was compared to the FCAM-PLS method. The resulting models are not significantly different from those of FCAM-PLS; however, it involves a significantly smaller amount of variables.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
FCAM-PLS
dc.subject
NEAR-INFRARED SPECTROSCOPY
dc.subject
ORTHOGONALIZATION
dc.subject
REPLACEMENT METHOD
dc.subject
ROWS-MLR
dc.subject.classification
Química Analítica
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Replacement Orthogonal Wavelengths Selection as a new method for multivariate calibration in spectroscopy
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-11-11T12:32:43Z
dc.journal.volume
145
dc.journal.pagination
872-882
dc.journal.pais
Países Bajos
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dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Goodarzi, Mohammad. University of Texas; Estados Unidos
dc.description.fil
Fil: Bacelo, Daniel Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Belgrano; Argentina
dc.description.fil
Fil: Fioressi, Silvina Ethel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Belgrano; Argentina
dc.description.fil
Fil: Duchowicz, Pablo Román. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
dc.journal.title
Microchemical Journal
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0026265X18310373
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1016/j.microc.2018.11.054
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