Services / Process Chemometrics Lab @ GEPSI –CIEPQPF



TAMES - Topological Analysis of Metabolic Structures. A software package to study local structures in biological networks.

• Dias, P.A.N., M.S. Reis, P. Martins, A. Salvador, Identifying Strong Statistical Bias in the Local Structure of Metabolic Networks - The Metabolic Network of Saccharomyces cerevisiae as a test case, BIOINFORMATICS 2015. Lisbon 12-15 January 2015.

Predictive Analytics and Comparison (PAC) framework. (Matlab package). This package was devised for helping practitioners building their predictive analytics models in “data rich/knowledge poor” scenarios, where a priori knowledge is insufficient to select a suitable prediction method.

• Rendall, R., M.S.Reis. Making Informed Decisions in “Data-Rich/Knowledge Poor” Scenarios – the Predictive Analytics Comparison framework (PAC). Submitted.

• Rendall, R., A.C. Pereira, M.S. Reis, Advanced predictive methods for wine age prediction: Part I - a comparison study of single-block regression approaches based on variable selection, penalized regression, latent variables and tree-based ensemble methods. Talanta. 171 (2017).


The following simulators and data sets can be made available upon request:
Network data simulator. Based on a gene network model.

• T.J. Rato, M.S. Reis, Computers & Chemical Engineering, 71 (2014) 307-322.
• T.J. Rato, M.S. Reis, J. Process Control, 24 (2014) 905-915.
• T.J. Rato, M.S. Reis, Chemom. Intell. Lab. Syst., 142 (2015) 255-264.
• T.J. Rato, M.S. Reis, Chemom. Intell. Lab. Syst., 142 (2015) 265-275.