This package serves as a query interface for important community collections of small molecules, while also allowing users to include custom compound collections. At the time of writing, the following community databases are included:
customCMPdb is an R/Bioconductor package and can be installed using BiocManager::install().
if (!requireNamespace("BiocManager", quietly = TRUE))
install.packages("BiocManager")
BiocManager::install("customCMPdb")
To obtain the most recent updates immediately, one can install it directly from GitHub as follows.
devtools::install_github("yduan004/customCMPdb", build_vignettes=TRUE)
After the package is installed, it can be loaded into an R session as follows.
For detailed description of the package, please refer to the vignette by running
browseVignettes("customCMPdb")
The vignette of this package is also available at here
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