Molecular Discovery was established in 1984 to provide the GRID software to scientists working on the field of Drug Design. Today Molecular Discovery is upgrading, designing and distributing a variety of scientific software for all the pharmaceutical research fields. All the products are based on the GRID force field, which is used in connection with experimental design and multivariate analysis tools to transform information into knowledge. The main field of application is drug discovery, property design and prediction by merging molecular modelling techniques and QSPR methods into 3D-QSPR 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 minimise drug failures.