OpenEye Lead Discovery Solutions
Researchers trust OpenEye solutions for virtual screening, ligand-based design, and structure-based design because they’re fast, accurate, and reliable. And because these tools are accessible in a variety of ways, teams can easily integrate OpenEye science into their unique research environments.
Ultra-Large Scale Virtual Screening
Search using ligand-based (FastROCS™), structure-based (Gigadock™), or combined ligand-and-structure based (Gigadock Warp) approaches with unrivaled speed and scale. Access directly to several commercial compound libraries with more than 5 billion commercially available compounds.
Molecular Docking and ScoringRigorous exhaustive docking methods for use with or without known bound ligand (OEDOCKING/HYBRID/FRED)
Electrostatic Similarity Search
Identify highly diverse active molecules using electrostatic potential (EON)
Shape Alignment and Scoring
Industry’s gold standard solution for in rapid shape-based alignment and scoring (CPU based ROCS® and GPU based FastROCS TK)
Find bioactive conformers by efficiently sampling relevant conformational space (OMEGA)
Rapid 2D and 3D Similarity Searching
Sketch-and-search by 2D and 3D similarity from a web browser and get near instantaneous results (Orion® Data Sources)
Delivered the Way You Need.