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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.html ,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:MetaboAnnotation,Spectra

Linking:

Please use the canonical formhttps://CRAN.R-project.org/package=msentropyto link to this page.


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