Quantum-machine-assisted drug discovery
Open Access
- 7 January 2026
- journal article
- review article
- Published by Springer Nature in npj Drug Discovery
- Vol. 3 (1)
Abstract
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.Keywords
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