File: README.md

package info (click to toggle)
r-bioc-chemminer 3.40.0+dfsg-2
  • links: PTS, VCS
  • area: main
  • in suites: bullseye, sid
  • size: 2,152 kB
  • sloc: cpp: 2,729; sh: 14; makefile: 2
file content (3 lines) | stat: -rw-r--r-- 737 bytes parent folder | download
1
2
3
 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.