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News/From Single-Step Edit Response to Multi-Step Molecular Optimization
arxiv
PublishedMay 13, 2026 at 4:00 AM
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From Single-Step Edit Response to Multi-Step Molecular Optimization

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arXiv:2605.10035v1 Announce Type: new Abstract: Conditional molecular optimization aims to edit a molecule to realize a specified property shift. In practice, structurally similar molecule data is scarce, while decisions are inherently action-level: at each step, the system must select one local str

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