Lead Finder™ is equipped with a dedicated algorithm and scoring function for virtual screening. The algorithm is designed to rapidly dock and score ligands using a method that has been optimized to separate actives from inactives.
A study on the DUD dataset showed an impressive overall ROC AUC of 0.74 and a median ROC AUC of 0.76.
Flexible licensing terms enable you to use your entire cluster, maximizing your return on investment.
Process thousands of molecules per hour
Find novel leads through virtual screening
Design focused libraries with a high enrichment of active compounds through screening of larger sets of virtual compounds
Predict the 3D structure of active molecules
Dock covalent and non-covalent ligands to your protein
Rapidly assess new molecule designs for their fit to the protein active site.