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Advances in computational intelligence and robotics book series

Quantum Algorithms for Drug Discovery and Genomics

J. S. Sharanyanivasini, S. R. Dhanalakshmi, R. Saravanakumar, P. Brindha

Published Oct 23, 2026• 0 citations
Publisher

Abstract

With the growing complexity of biomedical data, molecular interactions and genomic architectures, there are significant challenges in adapting traditional healthcare analytics and drug discovery systems to meet computational demands. The paradigm of quantum computing has recently come into the spotlight as a potential method to solve multidimensional optimization, molecular simulation and genomic inference problems using concepts like superposition, entanglement, and quantum parallelism. This chapter examines quantum algorithms and hybrid quantum-classical architectures in the drug discovery, protein folding, genomic analysis, and precision medicine applications. It also explores quantum machine learning algorithms such as VQE, QAOA, QSVM, and QNN, which are used for intelligent biomedical analytics. In addition, the conversation also covers cloud-edge quantum healthcare infrastructures, post-quantum security, and real-world healthcare applications, further demonstrating the potential impact of quantum-enhanced healthcare systems.

DOI
10.4018/979-8-2600-1985-6.ch011

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With the growing complexity of biomedical data, molecular interactions and genomic architectures, there are significant challenges in adapting traditional healthcare analytics and drug discovery systems to meet computational demands. The paradigm of quantum computing has recently come into the spotlight as a potential method to solve multidimensional optimization, molecular simulation and genomic inference problems using concepts like superposition, entanglement, and quantum parallelism. This chapter examines quantum algorithms and hybrid quantum-classical architectures in the drug discovery, protein folding, genomic analysis, and precision medicine applications. It also explores quantum machine learning algorithms such as VQE, QAOA, QSVM, and QNN, which are used for intelligent biomedical analytics. In addition, the conversation also covers cloud-edge quantum healthcare infrastructures, post-quantum security, and real-world healthcare applications, further demonstrating the potential impact of quantum-enhanced healthcare systems.
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Quantum computing has emerged as a promising paradigm for solving computationally intractable problems in healthcare, particularly within the scope of precision medicine. Traditional approaches to drug discovery, genomic analysis, and healthcare optimisation face significant limitations due to the exponential complexity of biological and clinical datasets. This article discusses the use of the Quantum Approximate Optimisation Algorithm (QAOA) as a quantum-classical hybrid framework to solve these issues. In drug discovery, QAOA provided better binding affinity prediction and lower root mean square deviation (RMSD) than traditional docking techniques. In genomic analysis, QAOA-boosted feature selection enhanced classification accuracy at the cost of reduced convergence time. Likewise, QAOA-based scheduling yielded better performance than traditional heuristics in healthcare optimisation by providing greater resource usage with fewer iterations. Experimental results show that warm-starting QAOA with classical initialisation reduces convergence further by up to 30%. These results highlight the promise of QAOA in speeding up biomedical computations and pave the way for scalable, quantum-enabled solutions in precision medicine.
The growing volume of biomedical data from electronic health records, medical imaging, genomic sequencing, wearable Internet of Medical Things (IoMT) devices, and precision medicine has created new opportunities as well as significant computational challenges for healthcare. This chapter explores how Quantum Machine Learning (QML) can complement conventional machine learning by improving the analysis of complex, high-dimensional healthcare data through hybrid quantum–classical approaches. It introduces the fundamentals of quantum computing and discusses their application in genomics, medical imaging, drug discovery, IoMT-enabled healthcare, and cybersecurity. The chapter also presents an integrated framework that brings together quantum-enabled analytics, secure communication, and clinical decision support, while highlighting current challenges, ethical considerations, and future directions such as fault-tolerant quantum computing, explainable quantum AI, federated quantum learning, and post-quantum healthcare security.