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Updated: Jul 18, 2025

Qualitative Characterization of the Aqueous Fraction from Hydrothermal Liquefaction of Algae Using 2D Gas Chromatography with Time-of-flight Mass Spectrometry
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Qualitative Characterization of the Aqueous Fraction from Hydrothermal Liquefaction of Algae Using 2D Gas Chromatography with Time-of-flight Mass Spectrometry

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结构相似性对保留时间预测准确性的影响

Roman Szucs1, Roland Brown2, Claudio Brunelli2

  • 1Department of Analytical Chemistry, Faculty of Natural Sciences, Comenius University Bratislava, Ilkovičova 6, SK-84215 Bratislava, Slovakia.

Journal of chromatography. A
|August 27, 2023
PubMed
概括

量化结构-保留关系 (QSRR) 模型可以使用小,结构相似的训练集准确预测保留时间. 这种方法有助于降低新化合物的染色法开发风险.

关键词:
量化结构与保留关系的关系.保留时间预测预测.结构上的相似性.

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