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Markush Enumeration is a powerful tool for Markush structure analysis. By interactively guiding the enumeration of the Markush structure, users can quickly understand the covered chemical  space. Current enumeration types
include full, partial, and random enumeration as well as library size calculation.

Markush Enumeration is available from APIMarkush Editor, ChemCuratorJChem for OfficeInstant JChem and KNIME.


Markush Enumeration can be easily used from KNIME. The following example illustrating how can you build a simple workflow using the Markush Overlap node.

You can download the example  project from here