Drug-target binding affinity prediction using message passing neural network and self supervised learning

BACKGROUND: Drug-target binding affinity (DTA) prediction is important for the rapid development of drug discovery. Compared to traditional methods, deep learning methods provide a new way for DTA prediction to achieve good performance without much knowledge of the biochemical background. However, t...

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Detalles Bibliográficos
Autores principales: Xia, Leiming, Xu, Lei, Pan, Shourun, Niu, Dongjiang, Zhang, Beiyi, Li, Zhen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10510145/
https://www.ncbi.nlm.nih.gov/pubmed/37730555
http://dx.doi.org/10.1186/s12864-023-09664-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10510145/
https://www.ncbi.nlm.nih.gov/pubmed/37730555
http://dx.doi.org/10.1186/s12864-023-09664-z

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