# Multi-View Substructure Learning for Drug-Drug Interaction Prediction

arXiv: https://arxiv.org/abs/2203.14513 · HTML: https://mlsanity.com/paper/2203.14513/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 7 of its 27 references that are in the map.
- First posted on arXiv 28 Mar 2022.

## Builds on (most cited first, 7 of 7)

- [Multi-view Graph Contrastive Representation Learning for Drug-Drug Interaction Prediction](https://mlsanity.com/paper/2010.11711/) (2020)
- [SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summarization](https://mlsanity.com/paper/2010.01450/) (2020)
- [GoGNN: Graph of Graphs Neural Network for Predicting Structured Entity Interactions](https://mlsanity.com/paper/2005.05537/) (2020)
- [MR-GNN: Multi-Resolution and Dual Graph Neural Network for Predicting Structured Entity Interactions](https://mlsanity.com/paper/1905.09558/) (2019)
- [CASTER: Predicting Drug Interactions with Chemical Substructure Representation](https://mlsanity.com/paper/1911.06446/) (2019)
- [Drug-Drug Adverse Effect Prediction with Graph Co-Attention](https://mlsanity.com/paper/1905.00534/) (2019)
- [Relation Matters in Sampling: A Scalable Multi-Relational Graph Neural Network for Drug-Drug Interaction Prediction](https://mlsanity.com/paper/2105.13975/) (2021)

## Abstract (arXiv)

Drug-drug interaction (DDI) prediction provides a drug combination strategy for systemically effective treatment. Previous studies usually model drug information constrained on a single view such as the drug itself, leading to incomplete and noisy information, which limits the accuracy of DDI prediction. In this work, we propose a novel multi- view drug substructure network for DDI prediction (MSN-DDI), which learns chemical substructures from both the representations of the single drug (intra-view) and the drug pair (inter-view) simultaneously and utilizes the substructures to update the drug representation iteratively. Comprehensive evaluations demonstrate that MSN-DDI has almost solved DDI prediction for existing drugs by achieving a relatively improved accuracy of 19.32% and an over 99% accuracy under the transductive setting. More importantly, MSN-DDI exhibits better generalization ability to unseen drugs with a relatively improved accuracy of 7.07% under more challenging inductive scenarios. Finally, MSN-DDI improves prediction performance for real-world DDI applications to new drugs.