Spectral Entropy for Mass Spectrometry Data

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" .


Reference manual

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install.packages("msentropy")

0.1.4 by Yuanyue Li, 3 years ago


https://github.com/YuanyueLi/MSEntropy


Browse source code at https://github.com/cran/msentropy


Authors: Yuanyue Li [aut, cre]


Documentation:   PDF Manual  


Apache License (== 2.0) license


Depends on Rcpp

Suggests testthat

Linking to Rcpp


See at CRAN