Name Mode Size
apfp.rda 100644 15 kb
apset.rda 100644 45 kb
atomprop.rda 100644 3 kb
atomprop.txt 100644 3 kb
pubchemFPencoding.rda 100644 7 kb
sdfsample.rda 100644 115 kb
smisample.rda 100644 2 kb
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]( where you can find the [Release]( version and the [Development]( version.