Lead Finder


Lead Finder™

Great leads from high-throughput docking

Lead Finder: Generate leads from high-throughput docking

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.


Lead Finder is a BioMolTech product distributed by Cresset.

Request a software evaluation, Torx® demo or Discovery CRO discussion

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