1. BLINK enables ultrafast tandem mass spectrometry cosine similarity scoring.
- Author
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Harwood, Thomas V., Treen, Daniel G. C., Wang, Mingxun, de Jong, Wibe, Northen, Trent R., and Bowen, Benjamin P.
- Subjects
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MASS spectrometry , *SPARSE matrices - Abstract
Metabolomics has a long history of using cosine similarity to match experimental tandem mass spectra to databases for compound identification. Here we introduce the Blur-and-Link (BLINK) approach for scoring cosine similarity. By bypassing fragment alignment and simultaneously scoring all pairs of spectra using sparse matrix operations, BLINK is over 3000 times faster than MatchMS, a widely used loop-based alignment and scoring implementation. Using a similarity cutoff of 0.7, BLINK and MatchMS had practically equivalent identification agreement, and greater than 99% of their scores and matching ion counts were identical. This performance improvement can enable calculations to be performed that would typically be limited by time and available computational resources. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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