Optimizing structure-based drug design with machine learning
26 Sep 2024
Lead Generation & Optimization
- How is machine learning accelerating the identification and optimization of lead compounds in current structure-based drug design projects?
- Considering the rapid evolution of AI, what emerging machine learning techniques hold the greatest promise for structurally informed lead optimization in the near future?
- What are your greatest practical challenges in developing and deploying structure-based drug design models?
- Prediction of three-dimensional structures is becoming more tenable across a variety of molecule types with tools such as AlphaFold 3; what are the main challenges and opportunities for incorporating 3D structures into structure-based drug design?
