Virtual Screening

HitGen's virtual screening platform can help to identify potential chemical starting points in a rapid and cost-effective manner for your drug discovery projects. HitGen has curated high-quality compound collection and our expertise in library design can provide a robust starting point for virtual screening, and our unique and integrated structure & ligand-based drug design platform can rapidly identify high-quality hits. Well established access to Amazon Web Services (AWS) allows us to securely run vHTS projects involving millions of compounds in a matter of hours. 

Key advantages:

• ~30 million commercially-available compounds derived from commercial compounds database by the application of various druglike filters, and this collection will be reviewed and updated on a regular basis.

  
  

• HitGen has curated 1 trillion proprietary compound collection, including different kind of target focused libraries (kinase, phosphatase, RNA, PPI etc.).

  
  

• AI-based core hopping platform can quickly generate more novel and druggable molecules, efficiently covering more good chemical space.

  
  

• Internal 3D-CNN re-scoring function and AI-aided ADMET prediction platform can significantly enhancing HitGen structure-based drug design platform, help project team quickly selecting reasonable compound candidates.

  
  

• A series of ligand-based VS technology have been deployed in HitGen, including shape, flexibility, three-dimensional character and pharmacophoric based virtual screening using state-of-the-art software and algorithm.