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Customize and Query Compound Annotation Database

Bioconductor version: Release (3.18)

This package serves as a query interface for important community collections of small molecules, while also allowing users to include custom compound collections.

Author: Yuzhu Duan [aut, cre], Thomas Girke [aut]

Maintainer: Yuzhu Duan <yduan004 at>

Citation (from within R, enter citation("customCMPdb")):


To install this package, start R (version "4.3") and enter:

if (!require("BiocManager", quietly = TRUE))


For older versions of R, please refer to the appropriate Bioconductor release.


To view documentation for the version of this package installed in your system, start R and enter:

customCMPdb HTML R Script
Reference Manual PDF


biocViews AnnotationHubSoftware, Cheminformatics, Software
Version 1.12.0
In Bioconductor since BioC 3.12 (R-4.0) (3.5 years)
License Artistic-2.0
Depends R (>= 4.0)
Imports AnnotationHub, RSQLite, XML, utils, ChemmineR, methods, stats, rappdirs, BiocFileCache
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Suggests knitr, rmarkdown, testthat, BiocStyle
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Package Archives

Follow Installation instructions to use this package in your R session.

Source Package customCMPdb_1.12.0.tar.gz
Windows Binary
macOS Binary (x86_64) customCMPdb_1.12.0.tgz
macOS Binary (arm64) customCMPdb_1.12.0.tgz
Source Repository git clone
Source Repository (Developer Access) git clone
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