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r-compounddb 1.10.0
Propagated dependencies: r-xml2@1.3.6 r-tibble@3.2.1 r-spectra@1.16.0 r-s4vectors@0.44.0 r-rsqlite@2.3.7 r-protgenerics@1.38.0 r-mscoreutils@1.18.0 r-metabocoreutils@1.14.0 r-jsonlite@1.8.9 r-iranges@2.40.0 r-dplyr@1.1.4 r-dbplyr@2.5.0 r-dbi@1.2.3 r-chemminer@3.58.0 r-biocparallel@1.40.0 r-biocgenerics@0.52.0 r-biobase@2.66.0 r-annotationfilter@1.30.0
Channel: guix-bioc
Location: guix-bioc/packages/c.scm (guix-bioc packages c)
Home page: https://github.com/RforMassSpectrometry/CompoundDb
Licenses: Artistic License 2.0
Synopsis: Creating and Using (Chemical) Compound Annotation Databases
Description:

CompoundDb provides functionality to create and use (chemical) compound annotation databases from a variety of different sources such as LipidMaps, HMDB, ChEBI or MassBank. The database format allows to store in addition MS/MS spectra along with compound information. The package provides also a backend for Bioconductor's Spectra package and allows thus to match experimetal MS/MS spectra against MS/MS spectra in the database. Databases can be stored in SQLite format and are thus portable.

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