girke-lab/ChemmineR: Cheminformatics Toolkit for R
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.
Getting started
Browse package contents
Package details |
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| Author | Y. Eddie Cao, Kevin Horan, Tyler Backman, Thomas Girke |
| Bioconductor views | BiomedicalInformatics CellBasedAssays Cheminformatics Clustering DataImport Infrastructure Metabolomics MicrotitrePlateAssay Pharmacogenetics Pharmacogenomics Proteomics Visualization |
| Maintainer | Thomas Girke <thomas.girke@ucr.edu> |
| License | Artistic-2.0 |
| Version | 3.53.2 |
| URL | https://github.com/girke-lab/ChemmineR |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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