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Reading the Molecule Is Not Enough to Read the Reaction

RxnExBench separates molecular recognition from chemistry-aware reasoning across 3,565 annotated reactions and 26 structured fields.

Published Updated Story ID: mp-2026-10-26-012
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Summary

RxnExBench separates molecular recognition from chemistry-aware reasoning across 3,565 annotated reactions and 26 structured fields.

Synthetic-chemistry papers often compress conditions and outcomes into dense screen tables and substrate-scope figures. RxnExBench turns 3,565 expert-annotated reactions and 2,361 structures into a schema with 15 roles and 26 core fields. An oracle protocol supplies molecular recognition so the evaluation can isolate higher-level multimodal reasoning. Across nine vision-language models, performance fell as schema complexity and reasoning demands increased; even with oracle molecules, integrating the figure and applying chemistry knowledge remained the bottleneck. The benchmark is drawn from selected journals and annotations, and the paper promises public release; it does not show safe autonomous extraction for all chemistry literature.

Why it matters

RxnExBench separates molecular recognition from chemistry-aware reasoning across 3,565 annotated reactions and 26 structured fields.

Limits and context

  • The benchmark is drawn from selected journals and annotations, and the paper promises public release; it does not show safe autonomous extraction for all chemistry literature.

Key claims

  1. RxnExBench separates molecular recognition from chemistry-aware reasoning across 3,565 annotated reactions and 26 structured fields.

    Qualification: The benchmark is drawn from selected journals and annotations, and the paper promises public release; it does not show safe autonomous extraction for all chemistry literature.

    Evidence: source-2026-10-26-012

Sources

  1. arXiv preprint 2610.32221, original v1arXiv · primary research

Corrections

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