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Updated: Jan 10, 2026

Mass Spectrometry-Guided Genome Mining as a Tool to Uncover Novel Natural Products
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采矿结构信息来自气体染色学-电子冲击电离-质谱数据,用于基于分析-描述器的定量结构-活动关系

Yasuyuki Zushi1,2

  • 1Research Institute of Science for Safety and Sustainability, National Institute of Advanced Industrial Science and Technology, 16-1 Onogawa, Tsukuba 305-8569, Japan.

Journal of xenobiotics
|November 24, 2025
PubMed
概括

使用质谱数据进行定量结构-活性关系 (QSAR) 预测,为传统方法提供了强大的替代方案. 这种方法有效地预测未知的化合物的化学性质和毒性,增强化学安全评估.

关键词:
基于分析描述符的模型气体染色学 - 电子冲击电离 - 质谱学 (GC-EI-MS)质谱质谱的质谱.定量结构活动关系 (QSAR)t 分布的随机邻居嵌入 (t-SNE)未知化学物质未知化学物质

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