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Paper · arXiv

MolRecBench-Wild: A Real-World Benchmark for Optical Chemical Structure Recognition

Optical Chemical Structure Recognition (OCSR) aims to translate molecular diagrams in scientific literature into machine-readable formats, but current systems remain unreliable on real-world images due to substantial visual and chemical complexity. We introduce MOSAIC, a dual-dimensional difficulty framework with 37 fine-grained labels that jointly characterize visual interference and chemical semantic challenges in molecular diagrams. Based on this framework, we construct MolRecBench-Wild, a benchmark of 5,029 structures from 820 recent chemistry papers, covering the full difficulty spectrum observed in real publications. To enable faithful semantic evaluation beyond SMILES and MolFile, ...

AuthorsHaote Yang, Hui Wang, Chen Zhu et al.
Primary categorycs.AI
Published7 May 2026
Last updated at source7 May 2026
cs.AI
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