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News/PMO-Dock: Benchmarking Docking, Specificity, and Generalization in Molecular Optimization
arxiv
PublishedOctober 15, 2026 at 4:00 AM

PMO-Dock: Benchmarking Docking, Specificity, and Generalization in Molecular Optimization

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arXiv:2610.19011v1 Announce Type: new Abstract: The Practical Molecular Optimization (PMO) benchmark standardized evaluation in molecular optimization, but it is built on simple property-based oracles that do not capture structure-based drug design. As the field has moved to docking-based objectives

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