Markush Search

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• Online tryout - opens in new window. Select table "Markush"
• User's Guide - search
• User's Guide - enumeration
• Developer's Guide
• Administrator's Guide
• API- opens in new window
• Technical presentation
• Articles and Presentations
• Markush Enumeration Plugin

Markush Search is an add-on to JChem Base and Instant JChem and allows the registration of generic structures into the database as well as substructure and exact structure searching in their enumerated libraries (without enumeration of library members).

Markush search currently can handle the following generic features:

• R-groups (nested to any depth)
• atom and bond lists
• link nodes
• position variation bonds

Markush Search includes the Markush Enumeration plugin. The two tools together simplify the analysis of complex combinatorial Markush structures (libraries of complexity 10³⁰ and above) and browse the chemistry space described by generic Markush structures.

Currently an extension is being developed to handle patent Markush features:

• Homology variation (predefined generic atoms - alkyl, aryl, etc.)
• Properties (# of atoms, branching points, # of heteroatoms, etc.)
• Multiple graphical attachment points for R-groups
• Repeating units with repetition range (repeating groups)
• Bridged definition of multiple R-atoms.