From intuition to AI: evolution of small molecule representations in drug discovery

Within drug discovery, the goal of AI scientists and cheminformaticians is to help identify molecular starting points that will develop into safe and efficacious drugs while reducing costs, time and failure rates. To achieve this goal, it is crucial to represent molecules in a digital format that ma...

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Detalles Bibliográficos
Autores principales: McGibbon, Miles, Shave, Steven, Dong, Jie, Gao, Yumiao, Houston, Douglas R, Xie, Jiancong, Yang, Yuedong, Schwaller, Philippe, Blay, Vincent
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10689004/
https://www.ncbi.nlm.nih.gov/pubmed/38033290
http://dx.doi.org/10.1093/bib/bbad422

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10689004/
https://www.ncbi.nlm.nih.gov/pubmed/38033290
http://dx.doi.org/10.1093/bib/bbad422

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