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oai:riubu.ubu.es:10259/53512022-08-14T22:42:07Zcom_10259_4249com_10259_5086com_10259_2604col_10259_4250

Ruiz Miguel, Santiago 501 500 Sarabia Peinador, Luis Antonio 534 500 Ortiz Fernández, Mª Cruz 406 500 Sánchez Pastor, Mª Sagrario 518 500 2020-06-23T13:42:14Z 2020-06-23T13:42:14Z 2020-08 0169-7439 http://hdl.handle.net/10259/5351 10.1016/j.chemolab.2020.104040 The paper contains a discussion about the null spaces associated to linear prediction models for the particular case of Partial Least Squares regression models. The discussion separately considers the two existing null spaces: the one in the input space related to the projection onto the latent space and the null space, coming from the projection space, corresponding to the mapping of the scores onto the predicted responses. The paper also explores the impact of such null spaces in the definition of the design space around some feasible solutions obtained by inverting the prediction model, via several cases with simulated and real data from the literature. The case-studies serve to illustrate the discussion and the need of considering points in the two null spaces, rather than just take into account the null space within the latent space. They also serve to show how to address the use of the resulting vectors in the design space to maintain the desired quality by modifying the tunable (maneuverable) process variables to compensate for variations due to some other feature variables not so easy to control. European Regional Development Fund (FEDER) through Spanish Agencia Estatal de Investigación (project CTQ2017-88894-R) application/pdf eng Elsevier Chemometrics and Intelligent Laboratory Systems. 2020, V. 203, 104040 https://doi.org/10.1016/j.chemolab.2020.104040 info:eu-repo/grantAgreement/MINECO/CTQ2017‐88894‐R Attribution-NonCommercial-NoDerivatives 4.0 Internacional http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess Partial least squares Process analytical technology Quality by design Linear application Null space Model inversion Química analítica Chemistry, Analytic Residual spaces in latent variables model inversion and their impact in the design space for given quality characteristics Chemometrics and Intelligent Laboratory Systems 203 104040 info:eu-repo/semantics/acceptedVersion TEXT Ruiz-cils_2020.pdf.txt Ruiz-cils_2020.pdf.txt Extracted text text/plain 92563 https://riubu.ubu.es/bitstream/10259/5351/5/Ruiz-cils_2020.pdf.txt b5b56e81ea2e65aeed0f6184e85d0a94 MD5 5 THUMBNAIL Ruiz-cils_2020.pdf.jpg Ruiz-cils_2020.pdf.jpg IM Thumbnail image/jpeg 4379 https://riubu.ubu.es/bitstream/10259/5351/4/Ruiz-cils_2020.pdf.jpg c6276a1e6d12d5f086f256acfab433e1 MD5 4 LICENSE license.txt license.txt text/plain; charset=utf-8 998 https://riubu.ubu.es/bitstream/10259/5351/3/license.txt aa90105e1c90a1b4fe810649aa967b7d MD5 3 CC-LICENSE license_rdf license_rdf application/rdf+xml; charset=utf-8 805 https://riubu.ubu.es/bitstream/10259/5351/2/license_rdf 4460e5956bc1d1639be9ae6146a50347 MD5 2 ORIGINAL Ruiz-cils_2020.pdf Ruiz-cils_2020.pdf application/pdf 1990291 https://riubu.ubu.es/bitstream/10259/5351/1/Ruiz-cils_2020.pdf 2deeade64d5802fd2b907a37f4a92f10 MD5 1 10259/5351 oai:riubu.ubu.es:10259/5351 2022-08-15 00:42:07.283 Repositorio Institucional de la Universidad de Burgos bubrep@ubu.es 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