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 ( anapplication of in silico models for physical chemical properties, including quantum mechanical and machinelearning 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 and scoring of virtuals hits ) ; ( iv ) ligand based design ( rationalization of SAR, molecular overlays, conformation analysis, and pharmacophore development and 3D searching techniques);(v ) compound library design ( in silico reagent / monomer optimization and selection, prioritization of compoundsfor synthesis ) ; ( vi ) QSAR ( QSAR techniques, including COMFA and COMSIA ) ; ( vii ) diversity analysis andclustering techniques ; and ( viii ) application using neural networks model classification