Preprint
Aug 2026
Multi-Agent Closed-Loop Reasoning for Organic Structure Elucidation from Multimodal Spectra
MACROS establishes a scalable foundation for fully automated structure elucidation, and catalyzes accelerated molecular discovery toward autonomous laboratories, and augments chemists via collaboration to deliver sixfold faster, 40% more accurate elucidation.
Bingsen Xue, Zhuojun Jiang, Jianhao Zhang et al.
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