Hit Generation

Predictive models used for screening of fragments, de-novo designed compounds and our large
privileged compound collection to identify series of hits for all classes of targets.

  • Mapping of interactions to potency
  • On-target screening
  • Pharmacophore/QSAR/Docking models
  • Screening of large virtual databases
  • Identification of hits and compound design
  • Hit quality assessment through preliminary filters
  • Iterative design to optimize hits into leads
  • Fragment screening and de-novo design
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  • Key molecular interactions and their contribution to SAR
  • On-target screening using molecular docking, pharmacophore, molecular field approaches
  • Screening of our large privileged databases covering a wide chemical space
  • Enabling FBDD campaigns and evolution of fragments into hits
  • de novo designs of hits based on key interactions and novelty
  • Fast follow-ons with focus on differentiation
  • Hit quality assessment through ML models
  • Iterative designs for Hit -> Lead

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