Package: msentropy 0.1.4

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>.

Authors:Yuanyue Li [aut, cre]

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Bug tracker:https://github.com/yuanyueli/msentropy/issues

On CRAN:

5 exports 0.36 score 1 dependencies 1 dependents 8 scripts 1.3k downloads

Last updated 1 years agofrom:e15bfa3b69. Checks:OK: 9. Indexed: yes.

Exports:calculate_entropy_similaritycalculate_spectral_entropycalculate_unweighted_entropy_similarityclean_spectrummsentropy_similarity

Dependencies:Rcpp