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MinerU.Chem: A High-Precision System for Optical Chemical Structure and Reaction Recognition

2026-08-04 · Haote Yang, Jiang Wu, Jingchao Wang, Xingjian Wei, Lixin Ma, Linye Li, Chen Zhu, Xiaolong Wu, Yuheng Lu, Ziran Zhu, Junyuan Gao, Lingli Ge, Yuan Xu, Huijie Ao, QianQian Wu, Dechen Lin, Huaiyu Gu, Lu Chen, Shengxin Lu, ShaSha Wang, Yuanyuan Cao, Zhejia Yu, Ruijie Zhang, Zimai Tian, Jiaxing Sun, Yinfan Wang, Jiahe Song, Chuang Wang, Yubin Wang, Rui Nie, Hao Zheng, Bowen Jiang, Hongbin Lai, Yifan He, Chengjin Liu, Tingting Zhang, Liqun Wei, Lijun Wu, Bin Wang, Yuqiang Li, Guangyu Wang, Wei Li, Bowen Zhou, Dahua Lin, Conghui He arxiv

In organic chemistry papers and patents, molecular structures, reaction schemes, and experimental conditions are often presented as molecular structure depictions, reaction diagrams, and complex tables or figures. Such information is difficult for general-purpose document parsing systems to directly convert into machine-readable data. This limits data production for organic chemistry knowledge base construction and for AI for Chemistry tasks such as reaction prediction, retrosynthesis, condition recommendation, molecular property prediction, and drug molecule design. This report introduces MinerU-Chem, a document parsing system for organic chemistry literature integrated into the MinerU online platform. Built on top of MinerU's general document parsing pipeline, MinerU-Chem adds five chemistry-specific modules: chemistry relevance filtering, molecular structure detection, molecule identifier extraction, molecular structure recognition, and reaction scheme parsing. Together, these modules convert organic-chemistry-related image regions in documents into a Molecule Summary List and a Reaction Summary List. For molecular structure recognition, MinerU-Chem uses CARBON (Complex Atomic Representation and Bonding Object Notation) as its core representation. CARBON enables recognition results to preserve both the visual layout of the original image and complex chemical semantics, while supporting the export of standard downstream formats such as MolFile and SMILES. On the SMILES-evaluable subset of MolRecBench-Wild (N=2,392), MinerU-Chem's molecular structure recognition module achieves a SMILES exact-match accuracy of 93.02%, outperforming the best evaluated comparison system, GPT-5.6-Sol (74.87%), by 18.15 percentage points. The system has been integrated into the MinerU online platform and is available at https://mineru.net/OpenSourceTools/Extractor .

📄 PDF Abstract BibTeX arXiv:2608.03525

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Tasks

Molecular Property Prediction

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