3D pride without 2D prejudice: Bias-controlled multi-level generative models for structure-based ligand design

no code implementations • 22 Apr 2022 • Lucian Chan, Rajendra Kumar, Marcel Verdonk, Carl Poelking

Generative models for structure-based molecular design hold significant promise for drug discovery, with the potential to speed up the hit-to-lead development cycle, while improving the quality of drug candidates and reducing costs.

Contrastive Learning Drug Discovery