Drug target affinity prediction based on multi-scale gated power graph and multi-head linear attention mechanism.

Drug target affinity prediction based on multi-scale gated power graph and multi-head linear attention mechanism.

For the purpose of developing new drugs and repositioning existing ones, accurate drug-target affinity (DTA) prediction is essential. While graph neural networks are frequently utilized for DTA prediction, it is difficult for existing single-scale graph neural networks to access the global structure...

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Bibliographic Details
Main Authors: Shuo Hu, Jing Hu, Xiaolong Zhang, Shuting Jin, Xin Xu
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2025-01-01
Series:PLoS ONE
Online Access:https://doi.org/10.1371/journal.pone.0315718
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