MolecBioNet, a graph neural network that treats drug pairs as unified entities with knowledge graph and molecular substructure views, reports state-of-the-art accuracy, F1, and PR-AUC on the Ryu and DrugBank DDI benchmarks.
Chamikara and Yi-Ping Phoebe Chen
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Towards Interpretable Drug-Drug Interaction Prediction: A Graph-Based Approach with Molecular and Network-Level Explanations
MolecBioNet, a graph neural network that treats drug pairs as unified entities with knowledge graph and molecular substructure views, reports state-of-the-art accuracy, F1, and PR-AUC on the Ryu and DrugBank DDI benchmarks.