Quantum computing for near-term applications in generative chemistry and drug discovery

Drug Discovery Today(2023)

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摘要
•Drug discovery is time consuming, expensive and experiences increasing challenges.•Generation of new drug candidates is one of the major challenges.•Quantum computing is the next most significant leap in disruptive technologies.•Quantum generative models theoretically outperform classical ones.•Novel quantum computing approaches may revolutionize generative chemistry.
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关键词
generative chemistry,Quantum computing,quantum machine learning,quantum chemistry,artificial intelligence for drug discovery,noisy intermediate-scale quantum (NISQ) devices,de novo generation of small molecules
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