Virtual screening is the process that determines whether the library of molecules generated using computational techniques meets a number of criteria to become likely drug candidates. Accurate and a priori screening is of essence to take the critical ‘go – no go’ decisions regarding the newly designed molecules.
VLife offers Virtual Screening services to help drug discovery companies and discovery research scientists arrive at the correct decisions on which compounds from their libraries are worthy of further investment in terms of synthesis and experimental validation. Our expert scientists will put to use the latest technologies available to rank or filter a set of molecules based on the customer specified criteria.
VLife can assist you by utilizing a variety of screening filters depending upon the extent of structure and activity data that is available. Our scientists may employ either a ligand based screening approach or a structure based screening approach or both to provide you with the best scoring of the molecules in your library. Our virtual screening services could include a QSAR predicted activity based screening, pharmacophoric feature based screening or docking based screening followed by filtering using an extended Lipinski rule of five. The step wise screening process helps to eliminate potentially unfavorable molecules at an early stage.