Welcome to HitGen

Services

Enabling Innovative Drug Discovery with Advanced Technologies

  1. Services
  2. Virtual Screening

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.

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