- recipe bioconductor-cliquems
Annotation of Isotopes, Adducts and Fragmentation Adducts for in-Source LC/MS Metabolomics Data
- Homepage:
https://bioconductor.org/packages/3.14/bioc/html/cliqueMS.html
- License:
GPL (>= 2)
- Recipe:
Annotates data from liquid chromatography coupled to mass spectrometry (LC/MS) metabolomics experiments. Based on a network algorithm (O.Senan, A. Aguilar- Mogas, M. Navarro, O. Yanes, R.Guimerà and M. Sales-Pardo, Bioinformatics, 35(20), 2019), 'CliqueMS' builds a weighted similarity network where nodes are features and edges are weighted according to the similarity of this features. Then it searches for the most plausible division of the similarity network into cliques (fully connected components). Finally it annotates metabolites within each clique, obtaining for each annotated metabolite the neutral mass and their features, corresponding to isotopes, ionization adducts and fragmentation adducts of that metabolite.
- package bioconductor-cliquems¶
-
- Versions:
1.8.0-1
,1.8.0-0
,1.6.0-0
,1.4.0-1
,1.4.0-0
,1.2.0-0
- Depends:
bioconductor-msnbase
>=2.20.0,<2.21.0
bioconductor-xcms
>=3.16.0,<3.17.0
libblas
>=3.8.0,<4.0a0
libgcc-ng
>=10.3.0
liblapack
>=3.8.0,<4.0a0
libstdcxx-ng
>=10.3.0
r-base
>=4.1,<4.2.0a0
r-rcpp
>=0.12.15
- Required By:
Installation
With an activated Bioconda channel (see set-up-channels), install with:
conda install bioconductor-cliquems
and update with:
conda update bioconductor-cliquems
or use the docker container:
docker pull quay.io/biocontainers/bioconductor-cliquems:<tag>
(see bioconductor-cliquems/tags for valid values for
<tag>
)
Download stats¶
Link to this page¶
Render an badge with the following MarkDown:
[](http://bioconda.github.io/recipes/bioconductor-cliquems/README.html)