Scientists unveil AI that creates never-before-seen molecules to speed up drug discovery

Researchers at Rovira i Virgili University in Spain have developed CoCoGraph, an AI system using diffusion models to generate chemically valid molecules at scale, achieving 40% human expert deception rates and outperforming competing tools on two-thirds of physicochemical property tests. The breakthrough could accelerate drug discovery and materials science by systematically exploring the vast chemical space of 10^60 possible molecules.

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