CMMS-GCL: cross-modality metabolic stability prediction with graph contrastive learning

MOTIVATION: Metabolic stability plays a crucial role in the early stages of drug discovery and development. Accurately modeling and predicting molecular metabolic stability has great potential for the efficient screening of drug candidates as well as the optimization of lead compounds. Considering w...

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Detalles Bibliográficos
Autores principales: Du, Bing-Xue, Long, Yahui, Li, Xiaoli, Wu, Min, Shi, Jian-Yu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10457661/
https://www.ncbi.nlm.nih.gov/pubmed/37572298
http://dx.doi.org/10.1093/bioinformatics/btad503

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10457661/
https://www.ncbi.nlm.nih.gov/pubmed/37572298
http://dx.doi.org/10.1093/bioinformatics/btad503

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