Delving Into State-of-the-Art Multimodal & Compositional Diffusion AI Methodologies to Advance De Novo Structure-Based Drug Design Across Modalities
2:00 pm - Wednesday 9th December 2026
- Contextualizing advances in AI for structure-based drug design from proteincomplex structure prediction to multimodal and 3D diffusion-based molecular generation, while examining the remaining limitations of monolithic models
- Leveraging state-of-the-art multimodal and compositional diffusion AI to overcome bottlenecks in in silico structure-based drug design and advance ligand-binding modeling, scaffold decoration, and lead optimization across modalities
- Weighing up strengths and limitations of AI methodology for de novo drug discovery and highlighting the need for future experimental validation
