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
- 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