3 papers
cs.CV2026
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…
physics.chem-ph2026
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…
cs.CV2025
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…