Markush Enumeration in JChem for Excel

    A Markush structure is a description of a compound class by generic notations, primarily used in patent claims and the description of combinatorial libraries. The library of a Markush structure is the total set of specific molecules that are described by the Markush structure.

    The Markush enumeration plugin can be used to generate a whole or a subset of the library of a generic Markush structure. It is also capable of calculating the total number of specific structures present in a Markush library.

    For more information regarding this plugin, see Markush Enumerator Plugin.


    Returns the number of Markush enumerations.


    Returns 1 if the query (Markush) structure matches the target as a substructure, and 0 if it does not. A full structure search is not implemented in this function.