Applying AI-driven chemistry to accelerate novel modality design
05 May 2026
Novel Modalities
- How can AI-driven chemistry accelerate the design of novel CNS modalities beyond traditional small molecules?
- In what ways can AI improve hit-to-lead optimization for CNS targets with complex biology and BBB constraints?
- Can AI models better predict brain penetration, target engagement, and CNS safety earlier in discovery?
- How is AI enabling the exploration of new chemical space for CNS-relevant modalities such as PROTACs, RNA-based therapies, or peptide therapeutics?
- What data quality and integration challenges must be overcome to fully realize AI’s impact in CNS drug discovery?
