Chemical Space Localization for Unknown Metabolite Annotation via Semantic Similarity of Mass Spectral Language
Hongchao Ji, Ran Du, Qinliang Dai, Meifeng Su, Yaqing Lyu, Yanchun Peng, Jianbin Yan
The paper introduces a deep learning method for annotating unknown metabolites using semantic similarity of mass spectral data, showing improved performance over existing methods.
bioRxiv · May 30, 2024 · PreprintBioinformatics