Hit Identification Module

Hit Identification involves identifying small drug-like molecules from collections of candidate molecules that exhibit activity toward a specific biological target. These initial hits are then refined in the hit-to-lead and lead optimization stages of discovery to generate more selective and effective potential drug candidates. Computational hit identification is often referred to as virtual screening. Common virtual screening methods include fingerprint and substructure searches, 3D ligand-based similarity, and docking.

Among the solutions offered by OpenEye in the Hit Identification Module are Generative Design, FastROCS, and GigaDocking.