GitHub - rformassspectrometry/CompoundDb: Creating and using (chemical) compound databases (original) (raw)

Project Status: Active – The project has reached a stable, usable state and is being actively developed. R-CMD-check-bioc codecov license years in bioc Ranking by downloads build release build devel

CompoundDb ... preserve compound annotations.

Installation and requirements

The package can be installed with

install.packages(c("BiocManager", "remotes")) BiocManager::install("CompoundDb")

Creating and using (chemical) compound databases

This package provides functionality to create and use compound databases generated from (mostly publicly) available resources such asHMDB, ChEBI andPubChem.

For more information see the packagehomepage.

Contributions

Contributions are highly welcome and should follow the contribution guidelines. Also, please check the coding style guidelines in the RforMassSpectrometry vignette.