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News/When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMs
arxiv
PublishedJune 2, 2026 at 4:00 AM
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When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMs

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arXiv:2602.03554v2 Announce Type: replace-cross Abstract: Recent progress has expanded the use of large language models (LLMs) in drug discovery, including synthesis planning. However, objective evaluation of retrosynthesis performance remains limited. Existing benchmarks and metrics typically rely

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