Lead Generation
Hit to Lead campaign through de-novo design, core hopping, ligand
growing with focus on off-target selectivity and freedom to operate.
Optimization of on-target potency- Fragment hybridization for ligand growing
- Design for off-target selectivity
- Protein-ligand interaction fingerprints
- Lead quality assessment with ML DMPK global filters
- Identifying structural alerts for potential toxicity
- Screening of leads on our molecular similarity engine
- Druglikeness assessment