Folch Fortuny, Abel; Arteaga Moreno, Francisco Javier; Ferrer, Alberto(Wiley, 2016-07)
Maximum likelihood principal component analysis (MLPCA) was originally proposed to incorporate measurement error variance information in principal component analysis (PCA) models. MLPCA can be used to fit PCA models in the ...
[EN] Calibration transfer between near-infrared (NIR) spectrometers is a subtle issue in chemometrics and process industry. In fact, as even very similar instruments may generate strongly different spectral responses, ...
Folch Fortuny, Abel(Universitat Politècnica de València, 2017-01-23)
The present Ph.D. thesis is devoted to study, develop and apply approaches commonly used in chemometrics to the emerging field of systems biology. Existing procedures and new methods are applied to solve research and ...
Folch-Fortuny, Abel; Teusink, Bas; Hoefsloot, Huub C.J.; Smilde, Age K.; Ferrer, Alberto(Springer (Biomed Central Ltd.), 2018)
[EN] A novel framework is proposed to analyse metabolic fluxes in non-steady state conditions, based on the new concept of dynamic elementary mode (dynEM): an elementary mode activated partially depending on the time point ...
[EN] Background: The inference of complex networks from data is a challenging problem in biological sciences, as well as in a wide range of disciplines such as chemistry, technology, economics, or sociology. The quantity ...
[EN] Deviating multivariate observations are used typically to test the performance of outlier detection methods. Yet, the generation of outlying cases itself usually appears as a secondary methodological step in methods ...
Folch-Fortuny, Abel; Tortajada Serra, Marta; Prats-Montalbán, José Manuel; Llaneras Estrada, Francisco; Picó Marco, Jesús Andrés; Ferrer Riquelme, Alberto José(Elsevier, 2015-03-15)
[EN] With the aim of understanding the flux distributions across a metabolic network, i.e. within living cells, Principal Component Analysis (PCA) has been proposed to obtain a set of orthogonal components (pathways) ...
[EN] Within the emergent field of Systems Biology, mathematical models obtained from physical chemical laws (the so-called first principles-based models) of microbial systems are employed to discern the principles that ...
Folch Fortuny, Abel; Arteaga Moreno, Francisco Javier; Ferrer, Alberto(Elsevier, 2016-03-15)
[EN] Here we introduce a graphical user-friendly interface to deal with missing values called Missing Data Imputation (MDI) Toolbox. This MATLAB toolbox allows imputing missing values, following missing completely at random ...
Folch-Fortuny, Abel; ARTEAGA MORENO, FRANCISCO JAVIER; Ferrer Riquelme, Alberto José(Elsevier, 2015-08-15)
[EN] This paper introduces new methods for building principal component analysis (PCA) models with missing data: projection to the model plane (PMP), known data regression (KDR), KDR with principal component regression ...
[EN] New algorithms to deal with missing values in predictive modelling are presented in this article. Specifically, 2 trimmed scores regression adaptations are proposed, one from principal component analysis model building ...
Folch Fortuny, Abel; Marques, Rodolfo; Isidro, Ines A.; Oliveira, Rui; Ferrer, Alberto(Royal Society of Chemistry, 2016)
Principal component analysis (PCA) has been widely applied in fluxomics to compress data into a few latent structures in order to simplify the identification of metabolic patterns. These latent structures lack a direct ...
Prats Montalbán, José Manuel; Ferrer Riquelme, Alberto José; Vitale, Raffaele; Folch Fortuny, Abel(Editorial Universitat Politècnica de València, 2015)
The Chemometrics Workshop for Young Researchers is a multidisciplinary symposium aimed at gathering young researchers and international experts in the field of multivariate data analysis. The main goal of the Workshop is ...
Bosque, Gabriel; Folch Fortuny, Abel; Picó Marco, Jesús Andrés; Ferrer, Alberto; Elena Fito, Santiago Fco(BioMed Central, 2014-11-20)
Background: One of the central interests of Virology is the identification of host factors that contribute to virus infection. Despite tremendous efforts, the list of factors identified remains limited. With omics techniques, ...
[EN] In this work an N-way partial least squares regression discriminant analysis (NPLS-DA) methodology is developed to detect symptoms of disease caused by Penicillium digitatum in citrus fruits (green mould) using ...