4 papers
MinerU.Chem: A High-Precision System for Optical Chemical Structure and Reaction Recognition
Haote Yang, Jiang Wu, Jingchao Wang +42
In organic chemistry papers and patents, molecular structures, reaction schemes, and experimental conditions are often presented as molecular structure depictions, reaction diagram…
Molecular Identifier Visual Prompt and Verifiable Reinforcement Learning for Chemical Reaction Diagram Parsing
Jiahe Song, Chuang Wang, Yinfan Wang +11
Reaction diagram parsing (RxnDP) is critical for extracting chemical synthesis information from literature. Although recent Vision-Language Models (VLMs) have emerged as a promisin…
NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers
Liujia Yang, Zhuo Yang, Jiaqing Xie +9
Nuclear Magnetic Resonance (NMR) spectroscopy is fundamental for molecular structure elucidation, yet interpreting spectra at scale remains time-consuming and highly expertise-depe…
RxnCaption: Reformulating Reaction Diagram Parsing as Visual Prompt Guided Captioning
Jiahe Song, Chuang Wang, Bowen Jiang +13
Large-scale chemical reaction datasets are crucial for AI research in chemistry. However, existing chemical reaction data often exist as images within papers, making them not machi…