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arXiv — cs.AI preprintsInternational15 October 2026

ChemExplain: A Multimodal Benchmark for Explanatory Chemical Reasoning

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arXiv:2610.17183v1 Announce Type: new Abstract: Current chemistry benchmarks primarily evaluate outcome prediction or reaction pathway generation, but rarely test whether a model can explain why an observed chemical effect occurs. We introduce ChemExplain, a benchmark of 1,180 multiple-choice chemistry questions drawn from 383 peer-reviewed papers. Each question pairs a molecular or reaction image with an observed chemical effect and four candidate explanations, each associated with a different structural feature visible in the image. Answering requires the model to perceive the depicted struc
— arXiv — cs.AI preprints

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