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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>.
| Version: | 0.1.4 |
| Depends: | R (≥ 3.5.0), Rcpp (≥ 1.0.10) |
| LinkingTo: | Rcpp |
| Suggests: | testthat |
| Published: | 2023-08-07 |
| 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 |
| Reference manual: | msentropy.pdf |
| 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 suggests: | Spectra |
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