AINeutralarXiv – CS AI · 18h ago6/10
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Pharmacogenomic Knowledge Graph Augmentation for Graph Neural Network-Based Drug-Drug Interaction Prediction
Researchers demonstrate that augmenting graph neural networks with pharmacogenomic data from the PharmGKB database significantly improves drug-drug interaction predictions, particularly for CYP-mediated interactions. While knowledge graph augmentation shows substantial gains in DDI classification tasks, the approach reveals fundamental limitations in generalization to unseen drugs, suggesting that molecular structure alone constrains model performance.