Unified 3D generative model for synthesizable structure-based drug design sparks synthesizability debate
_onionesque · x · 2026-09-21
A new preprint, "A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design" (AdrDobbel et al.), presents a 3D generative model that constrains structure-based drug design to synthesizable molecules, with preprint and code released. In the ensuing discussion, jssweller argues synthesizability is not a fundamental chemical property but a function of current technology, and points to his team's related paper on Model-Guided Virtual Screening as a more general solution.
Related event: Large Drug Discovery Model Released with X-ray Validation(4 posts)→
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