计算机科学
搜索引擎
利用
熵(时间箭头)
质谱
质谱法
搜索引擎索引
数据挖掘
情报检索
化学
物理
色谱法
计算机安全
量子力学
作者
Yuanyue Li,Oliver Fiehn
出处
期刊:Nature Methods
[Nature Portfolio]
日期:2023-09-21
卷期号:20 (10): 1475-1478
被引量:36
标识
DOI:10.1038/s41592-023-02012-9
摘要
Public repositories of metabolomics mass spectra encompass more than 1 billion entries. With open search, dot product or entropy similarity, comparisons of a single tandem mass spectrometry spectrum take more than 8 h. Flash entropy search speeds up calculations more than 10,000 times to query 1 billion spectra in less than 2 s, without loss in accuracy. It benefits from using multiple threads and GPU calculations. This algorithm can fully exploit large spectral libraries with little memory overhead for any mass spectrometry laboratory.
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