# A Heterogeneous Network-based Contrastive Learning Approach for Predicting Drug-Target Interaction

arXiv: https://arxiv.org/abs/2411.00801 · HTML: https://mlsanity.com/paper/2411.00801/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 6 of its 26 references that are in the map.
- First posted on arXiv 20 Oct 2024.

## Builds on (most cited first, 6 of 6)

- [Representation Learning with Contrastive Predictive Coding](https://mlsanity.com/paper/1807.03748/) (2018)
- [Modeling Relational Data with Graph Convolutional Networks](https://mlsanity.com/paper/1703.06103/) (2017)
- [Fast and Accurate Deep Network Learning by Exponential Linear Units (ELUs)](https://mlsanity.com/paper/1511.07289/) (2015)
- [Heterogeneous Graph Transformer](https://mlsanity.com/paper/2003.01332/) (2020)
- [Are we really making much progress? Revisiting, benchmarking, and refining heterogeneous graph neural networks](https://mlsanity.com/paper/2112.14936/) (2021)
- [MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction](https://mlsanity.com/paper/2004.11424/) (2020)

## Abstract (arXiv)

Drug-target interaction (DTI) prediction is crucial for drug development and repositioning. Methods using heterogeneous graph neural networks (HGNNs) for DTI prediction have become a promising approach, with attention-based models often achieving excellent performance. However, these methods typically overlook edge features when dealing with heterogeneous biomedical networks. We propose a heterogeneous network-based contrastive learning method called HNCL-DTI, which designs a heterogeneous graph attention network to predict potential/novel DTIs. Specifically, our HNCL-DTI utilizes contrastive learning to collaboratively learn node representations from the perspective of both node-based and edge-based attention within the heterogeneous structure of biomedical networks. Experimental results show that HNCL-DTI outperforms existing advanced baseline methods on benchmark datasets, demonstrating strong predictive ability and practical effectiveness. The data and source code are available at https://github.com/Zaiwen/HNCL-DTI.