msentropy (Q5983325)

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Spectral Entropy for Mass Spectrometry Data
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English
msentropy
Spectral Entropy for Mass Spectrometry Data

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    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>.
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    7 August 2023
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    0.1.2
    13 June 2023
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    0.1.3
    23 June 2023
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    0.1.4
    7 August 2023
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    == 2.0 (English)
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