Intelligent pharmaceutical patent search on a near-term gate-based quantum computer

Abstract

Abstract Pharmaceutical patent analysis is the key to product protection for pharmaceutical companies. In patent claims, a Markush structure is a standard chemical structure drawing with variable substituents. Overlaps between apparently dissimilar Markush structures are nearly unrecognizable when the structures span a broad chemical space. We propose a quantum search-based method which performs an exact comparison between two non-enumerated Markush structures with a constraint satisfaction oracle. The quantum circuit is verified with a quantum simulator and the real effect of noise is estimated using a five-qubit superconductivity-based IBM quantum computer. The possibilities of measuring the correct states can be increased by improving the connectivity of the most computation intensive qubits. Depolarizing error is the most influential error. The quantum method to exactly compares two patents is hard to simulate classically and thus creates a quantum advantage in patent analysis.