Package: msentropy
Type: Package
Title: Spectral Entropy for Mass Spectrometry Data
Version: 0.1.4
Date: 2023-08-07
Authors@R: c( person(given = "Yuanyue", family = "Li", email = "liyuanyue@gmail.com", role = c("aut", "cre")) )
Description: 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>.
License: Apache License (== 2.0)
Depends: R (>= 3.5.0), Rcpp (>= 1.0.10)
Suggests: testthat
LinkingTo: Rcpp
RoxygenNote: 7.2.3
Encoding: UTF-8
URL: https://github.com/YuanyueLi/MSEntropy
NeedsCompilation: yes
Packaged: 2023-08-07 22:58:36 UTC; yli
Author: Yuanyue Li [aut, cre]
Maintainer: Yuanyue Li <liyuanyue@gmail.com>
Repository: CRAN
Date/Publication: 2023-08-07 23:10:02 UTC
Built: R 4.6.0; aarch64-apple-darwin23; 2026-04-25 20:35:57 UTC; unix
Archs: msentropy.so.dSYM
