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

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 resou...

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Main Authors: Long Wu, Ayman Hoque, Henry Lam
Format: Article
Language:English
Published: Nature Portfolio 2023-10-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-023-42006-x
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author Long Wu
Ayman Hoque
Henry Lam
author_facet Long Wu
Ayman Hoque
Henry Lam
author_sort Long Wu
collection DOAJ
description 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.
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spelling doaj.art-704d880e717247e79419ba738e2a37512023-11-20T09:54:26ZengNature PortfolioNature Communications2041-17232023-10-0114111010.1038/s41467-023-42006-xSpectroscape enables real-time query and visualization of a spectral archive in proteomicsLong Wu0Ayman Hoque1Henry Lam2Department of Chemical and Biological Engineering, The Hong Kong University of Science and TechnologyDepartment of Chemical and Biological Engineering, The Hong Kong University of Science and TechnologyDepartment of Chemical and Biological Engineering, The Hong Kong University of Science and TechnologyAbstract 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.https://doi.org/10.1038/s41467-023-42006-x
spellingShingle Long Wu
Ayman Hoque
Henry Lam
Spectroscape enables real-time query and visualization of a spectral archive in proteomics
Nature Communications
title Spectroscape enables real-time query and visualization of a spectral archive in proteomics
title_full Spectroscape enables real-time query and visualization of a spectral archive in proteomics
title_fullStr Spectroscape enables real-time query and visualization of a spectral archive in proteomics
title_full_unstemmed Spectroscape enables real-time query and visualization of a spectral archive in proteomics
title_short Spectroscape enables real-time query and visualization of a spectral archive in proteomics
title_sort spectroscape enables real time query and visualization of a spectral archive in proteomics
url https://doi.org/10.1038/s41467-023-42006-x
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