Spectroscape enables real-time query and visualization of a spectral archive in proteomics

Long Wu, Ayman Hoque and Henry Lam ()
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Long Wu: The Hong Kong University of Science and Technology
Ayman Hoque: The Hong Kong University of Science and Technology
Henry Lam: The Hong Kong University of Science and Technology

Nature Communications, 2023, vol. 14, issue 1, 1-10

Abstract: Abstract In proteomics, spectral archives organize the enormous amounts of publicly available peptide tandem mass spectra by similarity, offering opportunities for error correction and novel discoveries. Here we adapt an indexing algorithm developed by Facebook for organizing online multimedia resources to tandem mass spectra and achieve practically instantaneous retrieval and clustering of approximate nearest neighbors in a large spectral archive. An interactive web-based graphical user interface enables the user to view a query spectrum in its clustered neighborhood, which facilitates contextual validation of peptide identifications and exploration of the dark proteome.

Date: 2023
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DOI: 10.1038/s41467-023-42006-x

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