msentropy: 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" <doi:10.1038/s41592-021-01331-z>.

Version: 0.1.4
Depends: R (≥ 3.5.0), Rcpp (≥ 1.0.10)
LinkingTo: Rcpp
Suggests: testthat
Published: 2023-08-07
DOI: 10.32614/CRAN.package.msentropy
Author: Yuanyue Li [aut, cre]
Maintainer: Yuanyue Li <liyuanyue at gmail.com>
License: Apache License (== 2.0)
URL: https://github.com/YuanyueLi/MSEntropy
NeedsCompilation: yes
CRAN checks: msentropy results

Documentation:

Reference manual: msentropy.pdf

Downloads:

Package source: msentropy_0.1.4.tar.gz
Windows binaries: r-devel: msentropy_0.1.4.zip, r-release: msentropy_0.1.4.zip, r-oldrel: msentropy_0.1.4.zip
macOS binaries: r-release (arm64): msentropy_0.1.4.tgz, r-oldrel (arm64): msentropy_0.1.4.tgz, r-release (x86_64): msentropy_0.1.4.tgz, r-oldrel (x86_64): msentropy_0.1.4.tgz
Old sources: msentropy archive

Reverse dependencies:

Reverse suggests: Spectra

Linking:

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