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 as HMDB, ChEBI and PubChem.

For more information see the package homepage.

Contributions

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