Quantum computing for near-term applications in generative chemistry and drug discovery.
Quantum computing
artificial intelligence for drug discovery
de novo generation of small molecules
generative chemistry
noisy intermediate-scale quantum (NISQ) devices
quantum chemistry
quantum machine learning
Journal
Drug discovery today
ISSN: 1878-5832
Titre abrégé: Drug Discov Today
Pays: England
ID NLM: 9604391
Informations de publication
Date de publication:
08 2023
08 2023
Historique:
received:
17
02
2023
revised:
22
05
2023
accepted:
13
06
2023
medline:
23
10
2023
pubmed:
19
6
2023
entrez:
18
6
2023
Statut:
ppublish
Résumé
In recent years, drug discovery and life sciences have been revolutionized with machine learning and artificial intelligence (AI) methods. Quantum computing is touted to be the next most significant leap in technology; one of the main early practical applications for quantum computing solutions is predicted to be in quantum chemistry simulations. Here, we review the near-term applications of quantum computing and their advantages for generative chemistry and highlight the challenges that can be addressed with noisy intermediate-scale quantum (NISQ) devices. We also discuss the possible integration of generative systems running on quantum computers into established generative AI platforms.
Identifiants
pubmed: 37331692
pii: S1359-6446(23)00191-5
doi: 10.1016/j.drudis.2023.103675
pii:
doi:
Types de publication
Journal Article
Review
Langues
eng
Sous-ensembles de citation
IM
Pagination
103675Informations de copyright
Copyright © 2023 The Author(s). Published by Elsevier Ltd.. All rights reserved.