GraphscoreDTA: optimized graph neural network for protein–ligand binding affinity prediction

MOTIVATION: Computational approaches for identifying the protein–ligand binding affinity can greatly facilitate drug discovery and development. At present, many deep learning-based models are proposed to predict the protein–ligand binding affinity and achieve significant performance improvement. How...

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Detalles Bibliográficos
Autores principales: Wang, Kaili, Zhou, Renyi, Tang, Jing, Li, Min
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/PMC10243863/
https://www.ncbi.nlm.nih.gov/pubmed/37225408
http://dx.doi.org/10.1093/bioinformatics/btad340

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10243863/
https://www.ncbi.nlm.nih.gov/pubmed/37225408
http://dx.doi.org/10.1093/bioinformatics/btad340

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