Lead Generation
Hit to Lead campaign through de-novo design, core hopping, ligand
growing with focus on off-target selectivity and freedom to operate.
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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