DDI Link prediction

This data presents a GNN (graph neural network) model that has the ability to predict drug-drug, drug-protein and drug-target interactions. Combining such predictions can be particularly useful in combination therapy, as it allows for the consideration of other off-target interactions of the drugs in question. This problem is addressed using a Link Prediction approach based on the GraphSAGE framework and the topology of proteins and other target molecules related to the drugs for predicting DDI (Drug-Drug Interactions).