Efficient Quantum Algorithm for Similarity Measures for Molecules
The similarity measures for molecules play an important role for research in chemistry, biology and drug design. In order to obtain similarity measures for giant molecules such as muscle protein titin, the existing classical algorithms possess high computational complexity and many other disadvantages. An effective quantum algorithm, Quantum Method for Similarity Measures for Molecules (QMSM), is introduced to obtain similarity measure for molecules based on the quantum phase estimation algorithm. Moreover, we discuss the feasibility of simulating the quantum algorithm QMSM with quantum circuits. Finally, the performance evaluation and comparison of the QMSM algorithm are presented, where the QMSM can obtain exponential speedups compared to its classical counterparts.
KeywordsQuantum algorithms Phase estimation algorithm Molecular similarity Molecular graphs Quantum bioinformatics
This work is supported by the Natural Science Foundation of Hubei Province of China under Grant No.2016CFB541 and the Applied Basic Research Program of Wuhan Science and Technology Bureau of China under Grant No.2016010101010003 and the Science and Technology Program of Shenzhen of China under Grant No. JCYJ20170307160458368 and No. JCYJ20170818160208570.
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