The main field of the application of his research is drug discovery, property design and prediction. He has developed several computational methods to support the different phases in the drug discovery process, from hit finding through lead optimization. The main field of the application of his research is drug discovery, property design and prediction by merging molecular modelling techniques and QSAR methods into 3D-QSAR models. The same strategies can also be used in virtual screening, ADME prediction and profile and prediction of human drug metabolism, where selection or priorisation of candidates is required from large collections of compounds to minimize drug failures. His research mainly focuses on the development of tools that are able to derive high quality molecular descriptors and to efficiently manage huge amounts of available data in order to link Structure-Based Drug Design, Cheminformatics and Bioinformatics.