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iEdgeDTA: integrated edge information and 1D graph convolutional neural networks for binding affinity prediction

Artificial intelligence has become more prevalent in broad fields, including drug discovery, in which the process is costly and time-consuming when conducted through wet experiments. As a result, drug repurposing, which tries to utilize approved and low-risk drugs for a new purpose, becomes more att...

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Detalles Bibliográficos
Autores principales: Suviriyapaisal, Natchanon, Wichadakul, Duangdao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10448119/
https://www.ncbi.nlm.nih.gov/pubmed/37636509
http://dx.doi.org/10.1039/d3ra03796g

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