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Updated: Jan 8, 2026

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
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FIDDLE:一种深度学习方法,用于从双重质谱中预测化学公式

Yuhui Hong1, Sujun Li1, Yuzhen Ye1

  • 1Luddy School of Informatics, Computing, and Engineering, Indiana University Bloomington, Bloomington, IN, USA.

Nature communications
|December 12, 2025
PubMed
概括

深度学习工具FIDDLE可以从质谱数据中增强分子公式的识别. 这种方法显著提高了高通量分析的准确性和速度,优于现有的计算方法.

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