Cheminformatics toolkit for R
ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. It 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.
| System | Target | Derivation | Build status |
|---|---|---|---|
| x86_64-linux | /gnu/store/kpnhrqh7v6hqa6cna648w2jjrb854ci7-r-chemminer-3.48.0.drv |
| Linter | Message | Location |
|---|---|---|
| No lint warnings ✓ | ||