ChemmineR
Bioc currentCheminformatics Toolkit for R
Release Lineage
Entered 2.3 · Oct 22, 2008
Current · Requires R 4.6
Description
ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. Its latest version contains functions for efficient processing of large numbers of molecules, physicochemical/structural property predictions, structural similarity searching, classification and clustering of compound libraries with a wide spectrum of algorithms. In addition, it offers visualization functions for compound clustering results and chemical structures.
Test coverage
Line coverage
–
Expression
–
Tests / Examples
–
Functions
337 97 exported
Complexity
4.7 avg / 34 max
Call network
337 nodes / 281 edges
Test coverage is not measured for Bioconductor packages; nodes fall back to a neutral fill.
Call graph
Open call graph →Lowest coverage
Per-function coverage is not measured for this package yet.
Code
Structure
Lines of code
24,877
Files
201
Compiled share
15.6%
Has compiled src
Yes
Language breakdown
API
Exported functions
105
Internal functions
88
Recent export changes
Testing & CI
Has tests
Yes
Test-to-code ratio
0.00
testthat edition
–
CI present
No
CI type
[]
PR gated
No
Docs
Roxygen coverage
100%
Health & Security signals
Informational signals; not verdicts.
on.exit coverage
3.4%
Unsafe pattern score
10
Dep constraint coverage
5.6%
Secret pattern count
0
Bundled 3rd-party code
2 items
Portability & License
Min R version
2.10.0
System requirements
1
C++ standard
–
License
Artistic-2.0
License flags
SPDX valid, OSI approved
History
Versions
36
First release
2008-10-21
Latest release
2026-04-28
Avg cadence
181 days
Cold removal rate
–
Dep drift
18
LOC over versions
Per-file churn detail lives in the source pipeline: https://github.com/r-observatory/bioc-code-metrics.
Documentation
- Examples that run
- 73%
- Documented parameters
- 97%
- Return-value docs
- 92%
- References docs
- 64%
Topics
Depended on by (15)
Bioconductor (12)
CRAN (3)
People
Thomas Girke
Cite
Cite this package
Run in R for the authors' preferred citation:
citation("ChemmineR")Cite the R Observatory
For a number measured here: a download total, a coverage figure, an archival date.
From data release v2026-08-24, which the citation names so these numbers can be found later. More on citing and the projects behind them.