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ChemmineR

Bioc current

Cheminformatics Toolkit for R

v3.64.0 · software · Artistic-2.0
View on Bioconductor ↗ Source ↗

Release Lineage

Entered 2.3 · Oct 22, 2008

Current · Requires R 4.6

1.0 In 36 of 49 releases 3.23

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.

Code

Code metrics have not been computed for this package yet.

Topics

Software › ResearchField › Cheminformatics
Software › ResearchField › BiomedicalInformatics
Software › ResearchField › Pharmacogenetics
Software › ResearchField › Pharmacogenomics
Software › Technology › MicrotitrePlateAssay
Software › AssayDomain › CellBasedAssays
Software › WorkflowStep › Visualization
Software › Infrastructure
Software › Infrastructure › DataImport
Software › StatisticalMethod › Clustering
Software › ResearchField › Proteomics
Software › ResearchField › Metabolomics

Depended on by (15)

Bioconductor (12)

bioassayR ChemmineOB CompoundDb customCMPdb eiR fmcsR MetID RMassBank ChemmineDrugs BioMedR PGPC Rchemcpp

CRAN (3)

SubtypeDrug chemodiv xnet

People

Thomas Girke