遇见数据集

URSA: Chemistry-Aware Benchmark for Utilitarian Retrosynthesis Assessment

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Zenodo2026-07-07 更新2026-08-01 收录
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URSA: Chemistry-Aware Benchmark for Utilitarian Retrosynthesis Assessment Result artifacts accompanying the URSA retrosynthesis benchmark, Zagribelnyy et al. (2026). For each target molecule and each evaluated planner, this archive contains the best route selected by URSA, exported as a CDXML file in which each reaction step is annotated with its ChemCensor (CC) plausibility score. License and provenance Released under CC BY 4.0 — please cite the paper below. These routes are outputs of our own benchmark runs. Routes were generated by third-party foundation and specialist models (proprietary and open-weight); they are shared here as a research/reproducibility artifact, and downstream users should comply with the originating providers' terms (in particular, not using them to train competing models).

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2026-07-07
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