QikProp efficiently evaluates pharmaceutically relevant properties for over half a million compounds per hour, making it an indispensable lead generation and lead optimization tool.

The first such algorithm of its kind, QM-Polarized Ligand Docking uses ab initio methodology to calculate ligand charges within the protein environment. Innovative and practical, QM-Polarized Ligand Docking offers substantially enhanced accuracy over pure MM docking algorithms.

QSite applies quantum mechanics to the reactive center of a protein active site and molecular mechanics to the rest of the system. Its accuracy allows detailed understanding of reactions involving proteins, making it a powerful tool for lead optimization.