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 company said that 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.
The plugin handles the following combinatorial Markush features: R-groups, atom and bond lists, link nodes, repeating units, position variation bonds and homology variation.
Alex Drijver, CEO of ChemAxon, said: Markush structure search and enumeration is becoming of critical importance for structure IP and patent development. It is an area where ChemAxon has developed a high area of expertise and where we are moving very much into the forefront.