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arXiv · 2303.15419

A CQM-based approach to solving a combinatorial problem with applications in drug design

B. Maurice Benson·Victoria M. Ingman·Abhay Agarwal·Shahar Keinan
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Abstract

The use of D-Wave's Leap Hybrid solver is demonstrated here in solving a Knapsack optimization problem: finding meal combinations from a fixed menu that fit a diner's constraints. This is done by first formulating the optimization problem as a Constrained Quadratic Model (CQM) and then submitting it to a quantum annealer. We highlight here the steps needed, as well as the implemented code, and provide solutions from a Chicken and Waffle restaurant menu. Additionally, we discuss how this model may be generalized to find optimal drug molecules within a large search space with many complex, and often contradictory, structures and property constraints.

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B. Maurice Benson, Victoria M. Ingman, Abhay Agarwal, Shahar Keinan. 2023-03-27. A CQM-based approach to solving a combinatorial problem with applications in drug design. https://arxiv.org/abs/2303.15419

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