A variety of tools for Chemical Enumeration, Decomposition by R-Group (Markush).
Click to enlarge image.
- Generate focused compound libraries.
- Create or modify a Markush structure.
- Enumerate on-the-fly a new chemical database by adding chemical groups to defined R groups on a scaffold.
- Decompose a database into fragments.
- Enumerate by reaction.
- Calculate Maximum Common Substructure.
- R Group Decomposition from Clustering Node.
Return to ICM-Chemist Main Page
Click to enlarge image.
