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An integrated approach to the simultaneous selection of variables, mathematical pre-processing and calibration samples in partial least-squares multivariate calibration

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dc.creatorAllegrini, Franco
dc.creatorOlivieri, Alejandro César
dc.date.accessioned2018-01-23T14:35:26Z
dc.date.available2018-01-23T14:35:26Z
dc.date.issued2013-07-01
dc.descriptionA new optimization strategy for multivariate partial-least-squares (PLS) regression analysis is described. It was achieved by integrating three efficient strategies to improve PLS calibration models: (1) variable selection based on ant colony optimization, (2) mathematical pre-processing selection by a genetic algorithm, and (3) sample selection through a distance-based procedure. Outlier detection has also been included as part of the model optimization. All the above procedures have been combined into a single algorithm, whose aim is to find the best PLS calibration model within a Monte Carlo-type philosophy. Simulated and experimental examples are employed to illustrate the success of the proposed approach.es
dc.description.sponsorshipUniversidad Nacional de Rosarioes
dc.description.sponsorshipConsejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Project No. PIP 1950es
dc.description.sponsorshipAgencia Nacional de Promoción Científica y Tecnológica (ANPCyT, Argentina), Project No. PICT-2010-0084es
dc.formatapplication/pdf
dc.identifier.issn1873-3573
dc.identifier.urihttp://hdl.handle.net/2133/10470
dc.language.isoenges
dc.publisherElsevieres
dc.relation.publisherversionhttps://www.sciencedirect.com/science/article/pii/S0039914013005511?via%3Dihubes
dc.relation.publisherversionhttps://dx.doi.org/10.1016/j.talanta.2013.06.051es
dc.rightsopenAccesses
dc.rights.holderAllegrini, Francoes
dc.rights.holderOlivieri, Alejandro Césares
dc.rights.holderUniversidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticases
dc.rights.holderElsevieres
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/2.5/ar/*
dc.subjectPartial least-squareses
dc.subjectMultivariate Calibrationes
dc.subjectVariable Selectiones
dc.subjectPre-processing Selectiones
dc.subjectSample Selectiones
dc.subjectOutlier Detectiones
dc.titleAn integrated approach to the simultaneous selection of variables, mathematical pre-processing and calibration samples in partial least-squares multivariate calibrationes

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