A feature-aligned diffusion model for controllable generation of 3D drug-like molecules

Key Points

• The aim is to develop a framework that uses a diffusion model for generating 3D drug-like molecules with better docking affinity.
• Integrated molecular representations with a diffusion model
• Generated drug-like molecules
• Evaluated docking affinity of the compounds
• Compounds exhibited improved docking affinity compared to previous methods
• Enhanced exploration of potential drug candidates