S. Jahagirdar, M. Suarez-Diez and E. Saccenti Simulation and reconstruction of metabolite-metabolite association networks using a metabolic dynamic model and correlation based-algorithms. Submitted 2018

Get Supporting Material (contains SBML file for the AA metabolic model,  and supplementary information  including model equations, numerical results and references).

Jasper J Koehorst, Jesse C J van Dam, Ruben G A van Heck, Edoardo Saccenti, Vitor Martins A P dos Santos, Maria Suarez-Diez, Peter J Schaap: Comparison of 432 Pseudomonas strains through integration of genomic, functional, metabolic and expression data. In: Scientific Reports, vol. 6, pp. 38699, 2016, ISSN: 2045-2322.

Dataset can be found here

Benis, Nirupama; Interactions and functionalities of the gut revealed by computational approaches; Thesis
Supplementary data; Data for Chapter 3
Supplementary data; Data for Chapter 6

Edoardo Saccenti, José Camacho: Determining the number of components in principal components analysis: A comparison of statistical, crossvalidation and approximated methods. In: Chemometrics and Intelligent Laboratory Systems, vol. 149, pp. 99 - 116, 2015, ISSN: 0169-7439.

Data generated under a spiked model with normal distribution; Data for scheme A
Data with correlated variables – Peres-Neto simulation; Data for scheme B
Spectroscopic like data with varying levels of homoscedastic noise; Data for scheme C
Same as A but with skewed data distribution; Data for scheme D
Same as C but with heteroscedastic noise; Data for scheme E