Papers › Tri-graph Information Propagation for Polypharmacy Side Effect Prediction

Tri-graph Information Propagation for Polypharmacy Side Effect Prediction

28 Jan 2020arXiv:2001.10516archive 2025-07-28

Hao Xu, Shengqi Sang, Haiping Lu

The use of drug combinations often leads to polypharmacy side effects (POSE). A recent method formulates POSE prediction as a link prediction problem on a graph of drugs and proteins, and solves it with Graph Convolutional Networks (GCNs). However, due to the complex relationships in POSE, this method has high computational cost and memory demand. This paper proposes a flexible Tri-graph Information Propagation (TIP) model that operates on three subgraphs to learn representations progressively by propagation from protein-protein graph to drug-drug graph via protein-drug graph. Experiments show that TIP improves accuracy by 7%+, time efficiency by 83×, and space efficiency by 3×.

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Code

NYXFLOWER/TIP officialmentioned in paperpytorch report

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Tasks

Link PredictionPose PredictionPrediction

Results from the paper archive 2025-07-28

TaskDatasetModelMetricValueRank at snapshotLeaderboardReport
Link Prediction Decagon TIP AUPRC 0.890 #2 of 2 Archive leaderboard report
Link Prediction Decagon TIP AUROC 0.914 #2 of 2 Archive leaderboard report
Link Prediction Decagon TIP mAP@50 0.890 #2 of 2 Archive leaderboard report
Pose Prediction SUN-Mem TIP-sum PPM-GGM-DDM-DF AP50 89 #1 of 1 Archive leaderboard report
Pose Prediction SUN-Mem TIP-sum PPM-GGM-DDM-DF AUPRC 89 #1 of 1 Archive leaderboard report
Pose Prediction SUN-Mem TIP-sum PPM-GGM-DDM-DF AUROC 0.914 #1 of 1 Archive leaderboard report

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Methods

Graph Convolutional Networks

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