MSAgent: An Evidence Grounded Agentic Framework for LLM-driven Scientific Exploration in Mass Spectrometry-based Metabolomics
Yifan Li, Yunhua Zhong, Pan Liu, Tan Yusheng, Hongyu Zhan, Jun Xia
MSAgent improves molecular identification from mass spectrometry data by integrating LLMs with domain tools, achieving higher accuracy and reliability than existing methods.
bioRxiv · Apr 24, 2026 · PreprintBioinformatics