Name Mode Size
AllClasses.R 100644 107 kb
ChemmineR.R 100644 9 kb
chemmine_tools.R 100644 5 kb
cluster.R 100644 26 kb
compound_db.R 100644 35 kb
draw_sdf.R 100644 11 kb
postgresql.R 100644 3 kb
pubchem_calls.R 100644 7 kb
pvalue.R 100644 3 kb
sim.R 100644 29 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.