BIOCENIT, Rovira i Virgili University

The BIOCENIT - Bioinformatics & Computational Environmental Engineering research group includes professors and researchers from the Department of Chemical Engineering and the Department of Computer Science and Mathematics of the University Rovira i Virgili (URV). BIOCENIT has the research accreditation of the Catalan Research and Innovation System. It is formed by professors and researchers, experts in the areas of chemical and environmental engineering, computer sciences and applied mathematics.

Research interests related to the current project include machine learning and data mining, as well as molecular simulations and electronic structure calculations for the prediction of physico-chemical properties. The emphasis states in classification and imputation algorithms, dimensionality reduction, feature extraction algorithms and pattern recognition in complex systems of chemical and biological interest, exposure models and real time predictive identification. They have developed advanced neural network-based pattern recognition algorithms and molecular modelling techniques to build robust QSAR / QSPR models from data collected both in silico and in experimental laboratories.