Jul 2026
Can Large Language Models Translate MS/MS into Molecular Caption?
MS2LLM, a framework that represents spectra and molecular structures as natural languages and learns their correspondence through instruction tuning, generates hierarchical molecular descriptions, including functional groups, substructures, and chemical classes, directly from the spectral input.
Menglin Zhou, Chenhao Gong, Shan Cong et al.
· Analytical Chemistry · 0 citations