AI in small molecule hit generation and hit-to-lead
09 Sept 2026
Lead Generation & Optimization
- Given novel targets with no known chemical matter, how can AI/ML help identify hit molecules in either structure-based or structure-agnostic ways?
- How can AI/ML be coupled with experimental methods such as DEL to drive hit-to-lead discovery?
- Beyond small molecules inhibitors, how can AI/ML be leveraged to identify novel molecule glues?
Industry Expert
