Mashreq University

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Abstract: One of the most widely-used techniques for ligand-based virtual screening is
similarity searching. This study adopted the concepts of quantum mechanics to present as
state-of-the-art similarity method of molecules inspired from quantum theory. The
representation of molecular compounds in mathematical quantum space plays a vital role in
the development of quantum-based similarity approach. One of the key concepts of quantum
theory is the use of complex numbers. Hence, this study proposed three various ...

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