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Updated: Jun 28, 2025

Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments
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Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments

Published on: January 20, 2022

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预测离子移动性碰撞截面,并通过结合传统和数据驱动建模来评估预测变化

Robbin Bouwmeester1, Keith Richardson2, Richard Denny2

  • 1VIB-UGent Center for Medical Biotechnology, Ghent, Belgium; Department of Biomolecular Medicine, Ghent University, Ghent, Belgium.

Talanta
|April 15, 2024
PubMed
概括

一种新的机器学习 (ML) 方法准确地预测小分子的碰撞横截面 (CCS) 值. 这种方法增强了复杂混合物中的分子识别,并提高了使用分子建模 (MM) 的预测准确性.

关键词:
中央证券交易所 (CCS) 是一个.在IM-MSMS中使用IM-MS.我们的IMS是IMS.离子流动性的离子流动性机器学习是机器学习.分子建模分子建模

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相关概念视频

Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
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