definiens: means the activities undertaken by [COMPANY] under this Agreement to performactivities utilizing one or more of the following technologies : ( i ) physical chemical property calculations ( an applicationof in silico models for physical chemical properties, including quantum mechanical and machine learning techniques);(ii ) bioinformatics ( sequence alignment, homology modeling and selectivity profiling ) ; ( iii ) molecular modeling(structure based design which includes docking of vendor and in silico libraries, molecular mechanics and dynamics andscoring of virtuals hits ) ; ( iv ) ligand based design ( rationalization of SAR, molecular overlays, conformation analysis, andpharmacophore development and 3D searching techniques ) ; ( v ) compound library design ( in silico reagent / monomeroptimization and selection, prioritization of compounds for synthesis ) ; ( vi ) QSAR ( QSAR techniques, including COMFAand COMSIA ) ; ( vii ) diversity analysis and clustering techniques ; and ( viii ) application using neural networks modelclassification