Alignstein: Optimal transport for improved LC-MS retention time alignment.

GigaScience(2022)

Cited 2|Views7
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Abstract
We show that the use of optimal transport effectively overcomes the limitations of existing algorithms for statistical analysis of mass spectrometry datasets. The algorithm's source code is available at https://github.com/grzsko/Alignstein.
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Key words
Wasserstein distance,liquid chromatography–mass spectrometry,retention time alignment,simplex algorithm
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