Name Mode Size
..
ChemmineR.Rmd 100644 85 kb
ChemmineR.Rmd_bootstrap 100644 77 kb
ChemmineR.Rnw.orig 100644 69 kb
Makefile_bootstrap 100644 1 kb
bibtex.bib 100644 4 kb
header.html 100644 13 kb
html.template_bootstrap 100644 2 kb
launchCMTool.RData 100644 6 kb
listCMTools.RData 100644 1 kb
overview.png 100644 90 kb
references.bib 100644 4 kb
toolDetails.RData 100644 0 kb
visualizescreenshot-small.png 100644 40 kb
visualizescreenshot.png 100644 240 kb
README.md
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. ChemmineR is hosted on [Bioconductor](http://www.bioconductor.org) where you can find the [Release](http://www.bioconductor.org/packages/2.14/bioc/html/ChemmineR.html) version and the [Development](http://www.bioconductor.org/packages/devel/bioc/html/ChemmineR.html) version.