The Wasserstein Distance as a Dissimilarity Measure for Mass Spectra with Application to Spectral Deconvolution

DOI10.4230/LIPICS.WABI.2018.25MaRDI QIDQ5090367zbMATH OpenOpenAlexFDO

Authors Szymon Majewski, Michał Aleksander Ciach, Michał Startek, Wanda Niemyska, Błażej Miasojedow, Anna Gambin

Publication date 18 July 2022

Full work available at URL https://drops.dagstuhl.de/opus/volltexte/2018/9327/pdf/LIPIcs-WABI-2018-25.pdf/

zbMATH Keywords

Wasserstein distancesimilarity measuremass spectrometryEarth mover's distancetandem mass spectrometryTanimoto similarityJaccard score

Mathematics Subject Classification ID

Chemistry (92E99) Computational methods for problems pertaining to biology (92-08)

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Cites work

• Fragmentation Trees Reloaded
• Interior point methods 25 years later
• Optimal transport for applied mathematicians. Calculus of variations, PDEs, and modeling
• The earth mover's distance as a metric for image retrieval

Cited in

(1)

• masserstein

Describes a project that uses

Uses Software

• Toppic
• Decon2LS

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