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<p>Drug discovery is lengthy and expensive, with traditional computer-aided design facing limits. This paper examines integrating quantum computing across the drug development cycle to accelerate and enhance workflows and rigorous decision-making. It highlights quantum approaches for molecular simulation, drug-target interaction prediction, and optimizing clinical trials. Leveraging quantum capabilities could accelerate timelines and costs for bringing therapies to market, improving efficiency and ultimately benefiting public health.</p>

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Quantum-machine-assisted drug discovery

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年1月7日

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  • Yidong Zhou,
  • Jintai Chen,
  • Jinglei Cheng,
  • Xu Cao,
  • Yuanyuan Zhang,
  • Gopal Karemore,
  • Marinka Zitnik,
  • Frederic T. Chong,
  • Junyu Liu,
  • Tianfan Fu,
  • Zhiding Liang

摘要

Drug discovery is lengthy and expensive, with traditional computer-aided design facing limits. This paper examines integrating quantum computing across the drug development cycle to accelerate and enhance workflows and rigorous decision-making. It highlights quantum approaches for molecular simulation, drug-target interaction prediction, and optimizing clinical trials. Leveraging quantum capabilities could accelerate timelines and costs for bringing therapies to market, improving efficiency and ultimately benefiting public health.