Automatic generation of Markush structures from specific compounds

news · 6 months ago
by Péter Kovács, Árpád Figyelmesi, Gábor Botka (ChemAxon)
Markush ChemCurator

Markush structures play an important role in cheminformatics, especially in chemical patents. Our recent publication presents a novel algorithm for automatically generating Markush structures from series of specific compounds. This method can effectively be used to assist patent drafting or to compose combinatorial libraries based on several molecules of interest. The presented algorithm is the first solution to this problem, which is available in multiple software products of ChemAxon.

You can access the full paper in World Patent Information Journal.