MS2MP:,MS/MS-based Untargeted Metabolomics

Han Bao1,2,3, Xiuqiong Zhang1,2,3, Xinxin Wang1,2,3

  • 1State Key Laboratory of Medical Proteomics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P. R. China.

Analytical chemistry
|June 30, 2025
PubMed
概括

我们开发了MS2MP,这是一种深度学习工具,可以从质谱数据直接预测代谢途径,从而绕过代谢物识别的需要. 这加速了复杂生物系统的发现.