Combinatorial Library Generation

A variety of tools for Chemical Enumeration, Decomposition by R-Group (Markush).

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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.