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Updated: Jul 9, 2025

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基于深度学习的MS/MS频谱预测可促进新型精神活性物质的自动识别

Fei Wang1,2, Daniel Pasin3, Michael A Skinnider4,5,6

  • 1Department of Computing Science, University of Alberta, Edmonton, Alberta T6G 2E8, Canada.

Analytical chemistry
|December 4, 2023
PubMed
概括

一种新的深度学习方法,NPS-MS,只使用化学结构,准确地预测新的精神活性物质 (NPS) 的质谱谱谱. 这个工具可以帮助法医实验室在没有昂贵的参考标准的情况下识别NPS.

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