A System for Encoding and Searching Markush Structures

2012 ◽  
Vol 52 (8) ◽  
pp. 1936-1947 ◽  
Author(s):  
David A. Cosgrove ◽  
Keith M. Green ◽  
Andrew G. Leach ◽  
Andrew Poirrette ◽  
Jon Winter
Keyword(s):  
Markush Structures

Automatic generation of Markush structures from specific compounds

2019 ◽  
Vol 57 ◽  
pp. 59-69 ◽  
Author(s):  
Péter Kovács ◽  
Gábor Botka ◽  
Árpád Figyelmesi
Keyword(s):  
Automatic Generation ◽  
Markush Structures

A Line-Formula Notation System for Markush Structures

1968 ◽  
Vol 8 (3) ◽  
pp. 173-178
Author(s):  
Helen M. S. Sneed ◽  
James H. Turnipseed ◽  
Robert A. Turpin
Keyword(s):  
Notation System ◽  
Markush Structures

Mapping Chemical Structures to Markush Structures Using SMIRKS

2011 ◽  
Vol 30 (8) ◽  
pp. 665-671 ◽  
Author(s):  
Wei Deng ◽  
Gisbert Schneider ◽  
W. Venus So
Keyword(s):  
Chemical Structures ◽  
Markush Structures

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

2022 ◽  
Vol 12 (1) ◽  
Author(s):  
Pei-Hua Wang ◽  
Jen-Hao Chen ◽  
Yufeng Jane Tseng
Keyword(s):  
Quantum Computer ◽  
Chemical Space ◽  
Quantum Circuit ◽  
Patent Analysis ◽  
Pharmaceutical Companies ◽  
Pharmaceutical Patent ◽  
Product Protection ◽  
Quantum Simulator ◽  
Near Term ◽  
Markush Structures

AbstractPharmaceutical 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.

Handling of Markush Structures

2017 ◽  
pp. 67-73
Author(s):  
Timur Madzhidov ◽  
Ramil Nugmanov ◽  
Alexandre Varnek
Keyword(s):  
Markush Structures

Deconvoluting complex patent Markush structures: A novel R-group numbering system

2012 ◽  
Vol 34 (2) ◽  
pp. 128-133 ◽  
Author(s):  
Wei Deng ◽  
Eric Scott ◽  
Steven J. Berthel ◽  
W. Venus So
Keyword(s):  
Numbering System ◽  
Markush Structures
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