Chemometrics: a versatile tool to explore large dataset

Chemometrics is the field of science covering the development and application of mathematical and statistical methods to identify important chemical information. It is indispensable in the evaluation of experimental results and suitable for exploration of large data sets. Within the Trans2Care project we intend to apply chemometrics methods in several areas related to the problems explored by the Project partners. In particular we shall investigate transmembrane protein transport mechanism with data-driven modelling approach and also applying biomolecular simulations. We’ll combine our theoretical approach with experimental data provided by the Project partners, which will contribute to a better exploration of the available information in biomolecular systems studied, in the research of neurodegenerative diseases, in cardiovascular and pathohistological research. It will also intensify the collaboration, mobility of researchers and exchange of knowledge between partners. Index Terms — chemometrics, data mining, predictive modelling, transmembrane proteins