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Quantum-machine-assisted Drug Discovery

arXiv 2408.13479 ↗First posted 24 Aug 2024quant-ph cs.LG q-bio.BMcited by 0

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Abstract (arXiv)

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.

Key facts. No citing papers in the map yet (data through 7 Oct 2026). Builds on 36 of its 240 references that are in the map. First posted on arXiv 24 Aug 2024.

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36 of 240 references.

References · 36

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  3. 2022DiffDock: Diffusion Steps, Twists, and Turns for Molecular Dockingcited by 307
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24 more
  1. 2022A 3D Generative Model for Structure-Based Drug Designcited by 148
  2. 2022EquiBind: Geometric Deep Learning for Drug Binding Structure Predictioncited by 143
  3. 2017Quantum machine learning: a classical perspectivecited by 95
  4. 2019Unifying machine learning and quantum chemistry -- a deep neural network for molecular wavefunctionscited by 73
  5. 2021Quantum Federated Learning with Quantum Datacited by 53
  6. 2020Foundations for Near-Term Quantum Natural Language Processingcited by 51
  7. 2021Quantum federated learning through blind quantum computingcited by 44
  8. 2021Enhancing Generative Models via Quantum Correlationscited by 40
  9. 2020Quantum Natural Language Processing on Near-Term Quantum Computerscited by 39
  10. 2021Quantum Generative Models for Small Molecule Drug Discoverycited by 37
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  12. 2021Quantum machine learning with differential privacycited by 30
  13. 2021Speeding up Learning Quantum States through Group Equivariant Convolutional Quantum Ans"atzecited by 29
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  15. 2023Foundations of Quantum Federated Learning Over Classical and Quantum Networkscited by 21
  16. 2023MMoE: Enhancing Multimodal Models with Mixtures of Multimodal Interaction Expertscited by 21
  17. 2023Towards Quantum Federated Learningcited by 20
  18. 2020Quantum Language Model with Entanglement Embedding for Question Answeringcited by 17
  19. 2019word2ket: Space-efficient Word Embeddings inspired by Quantum Entanglementcited by 14
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  23. 2023Quantum approximate optimization via learning-based adaptive optimizationcited by 4
  24. 2023Geometric Deep Learning for Structure-Based Drug Design: A Surveycited by 2

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