Flash entropy search to query all mass spectral libraries in real time.
other · Level V
Where this comes from
- Record sourced from PubMed, PMID 37735567.
- Also identified by DOI 10.1038/s41592-023-02012-9 and PMC identifier 11511675.
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Abstract
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.
Medical subject headings
- Algorithms
- Entropy
- Metabolomics
- Software