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Updated: Jul 9, 2025

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
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Published on: May 20, 2013

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开发用于使用学习到等级 (LTR) 技术进行高通量ADME分析的预测多重反应监测 (MRM) 模型

Ramon Adalia1,2, Shivani Patel3, Anthony Paiva3

  • 1Lead Molecular Design S.L., 08172 Sant Cugat de Valles, Spain.

Journal of the American Society for Mass Spectrometry
|November 28, 2023
PubMed
概括

一个新的学习到等级模型预测了用于多重反应监测 (MRM) 质谱的产品离子,简化了药物发现. 这种计算方法消除了广泛的实验优化,加速了复杂生物样本中的化合物分析.

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