Markush Enumeration

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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.

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JCMarkushEnumerationCount

Returns the number of Markush enumerations.

JCMarkushMatch

Returns 1 if the query (Markush) structure matches the target molecule, and 0 if it doesn't.

 

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