Explore Trillions for Ligand-Based Hit Expansion and Scaffold Hopping. Safer and more effective medicines without compromise. Next-Generation 2D and 3D Virtual Screening in Ultra-Large Chemical Spaces for Optimal Hit Expansion, Scaffold Hopping and Lead Optimization.

Ligand-Based Scaffold Hopping and Hit Expansion in
Trillion-Sized Chemical Spaces in 2D and 3D

Ensuring Optimal Readiness Towards ADMET Liabilities and IP Protection

Small molecules are a cornerstone of modern medicine, representing most approved therapeutics, with a consistent rise in new approvals. In drug discovery, hit expansion and scaffold hopping are pivotal strategies for identifying structurally novel lead candidates that mimic the function of known active compounds. These approaches are essential for initiating new medicinal chemistry programs, as they provide pathways to secure novel intellectual property and mitigate or resolve ADMET liabilities.