msentropy

Spectral Entropy for Mass Spectrometry Data

Last update: 7 August 2023

Copyright license: Apache License

Software version identifier: 0.1.2, 0.1.3, 0.1.4

Clean the MS/MS spectrum, calculate spectral entropy, unweighted entropy similarity, and entropy similarity for mass spectrometry data. The entropy similarity is a novel similarity measure for MS/MS spectra which outperform the widely used dot product similarity in compound identification. For more details, please refer to the paper: Yuanyue Li et al. (2021) "Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification" <doi:10.1038/s41592-021-01331-z>.

Cites work

Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification

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