On the Reliability of AI Methods in Drug Discovery: Evaluation of Boltz-2 for Structure and Binding Affinity Prediction

ArXi:2603.05532v1 Announce Type: cross Despite continuing hype about the role of AI in drug discovery, no "AI-discovered drugs" have so far received regulatory approval. Here we assess one of the latest AI based tools in this domain. The ability to rapidly predict protein-ligand structures and binding affinities is pivotal for accelerating drug discovery. Boltz-2, a recently developed biomolecular foundation model, aims to bridge the gap between AI efficiency and physics-based precision through a joint "co-folding" approach.