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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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science (PLoS)
2025-01-01
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| Series: | PLoS ONE |
| Online Access: | https://doi.org/10.1371/journal.pone.0315718 |
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