DSANIB: drug-target interaction predictions with dual-view synergistic attention network and information bottleneck strategy

Prediction of drug-target interactions (DTIs) is one of the crucial steps for drug repositioning. Identifying DTIs through bio-experimental manners is always expensive and time-consuming. Recently, deep learning-based approaches have shown promising advancements in DTI prediction, but they face two notable challenges: (i) how to explicitly capture local interactions between drug-target pairs and learn their higher-order substructure embeddings; (ii) How to filter out redundant information to obtain effective embeddings for drugs and targets. Results: In this study, we propose a novel approach, termed DSANIB, to infer potential interactions between drugs and targets. DSANIB comprises two primary components: (1) DSAN component: The Inter-view Attention Network Module explicitly learns the local interactions between drugs and targets, while the Intra-view Attention Network Module aggregates information from local interaction features to obtain their higher-order substructure embeddings. (2) Information Bottleneck (IB) component: DSANIB adopts the IB strategy, which could retain relevant information while minimizing the redundant features to obtain their discriminative representations. Extensive experimental results demonstrate that DSANIB outperforms other SOTA prediction models. In addition, visualization of drug and target embeddings learned through DSANIB could provide interpretable insights for the prediction results. Availability: The source code has been made publicly available on GitHub https://github.com/Zzz-Soar/DSANIB.