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    Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/4358

    Título
    A useful tool for computation and interpretation of trading-off solutions through pareto-optimal front in the field of experimental designs for mixtures
    Autor
    Sánchez Pastor, Mª SagrarioAutoridad UBU Orcid
    Ortiz Fernández, Mª CruzAutoridad UBU Orcid
    Sarabia Peinador, Luis AntonioAutoridad UBU Orcid
    Publicado en
    Chemometrics and Intelligent Laboratory Systems. 2016, V. 158, p. 210–217
    Editorial
    Elsevier
    Fecha de publicación
    2016-11
    Résumé
    An algorithmic implementation is presented to deal with several responses in mixtures problems, without theoretical limits on the number of responses or on the factors to be blended. Also, constrained and unconstrained domains are handled, as well as domains with both mixtures and discrete variables. Besides, an alternative way of interpreting the results coming from the experimental design for mixtures is presented. It is based on the parallel coordinates plots for visualization in more than the usual three-dimensional Cartesian diagrams or the simplex mixture spaces for at most four experimental factors. Specifically, this is done in cases in which more than one experimental response should be handled, tackling the conflict by estimating trading-off solutions via the computation of the pareto-optimal front, which is fully explored with the parallel coordinates plots. The procedure is shown by two case-studies, taken from the literature. The first one deals with several factors in a constrained experimental domain when trying to optimize a detergent by taking into account two severely conflicting characteristics. The second one is about five chemical components blended with different dosage levels for getting a concrete strong enough, experimental results that are re-evaluated by posing a unique blocked design for analysing the data. The joint use of the pareto-optimal front for mixtures designs and the parallel coordinates plots for its visualization provide the researcher a deeper understanding of the problem under study to make accurate decisions.
    Palabras clave
    Mixtures designs
    Scheffé designs
    Pareto optimal front
    Genetic algorithms
    Parallel coordinates plot
    Materia
    Chemistry
    Mathematics
    Química
    Matemáticas
    URI
    http://hdl.handle.net/10259/4358
    Versión del editor
    http://dx.doi.org/10.1016/j.chemolab.2016.09.007
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    Attribution-NonCommercial-NoDerivatives 4.0 International
    Documento(s) sujeto(s) a una licencia Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
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    Sánchez-CILS_2016.pdf
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    788.2Ko
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