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A dual-branch graph neural network architecture for drug-target binding affinity prediction

Abstract Graph Neural Networks have emerged as a powerful paradigm for artificial intelligence driven drug discovery, offering molecular representation learning that surpasses many conventional approaches. Traditional experimental pipelines are both time and resource-intensive, modern computational...

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Autori principali: Khushnood Abbas, Chen Hao, Shi Dong, Wengang Zhou, Yong Tang, Shayla Islam, Mohammad Kamrul Hasan, Siti Norul Huda Sheikh Abdullah, Ruizhe Hou
Natura: Artigo
Lingua:Inglês
Pubblicazione: Nature Portfolio 2026-03-01
Serie:Scientific Reports
Accesso online:https://doi.org/10.1038/s41598-026-43782-4
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