In the field of cancer treatment, drug combination therapy appears to be a promising treatment strategy compared to monotherapy. Recently, plenty of computational models are gradually applied to prioritize synergistic drug combinations. However, the existing prediction models have not fully exploited the multi-way relations between drug combinations and cell lines. Besides, the number of identified drug-drug-cell line triplets is insufficient owning to the high cost of in vitro screening, which affects the ability of models to capture and utilize multi-way relations. To address this challenge, we design the multi-view hypergraph contrastive learning model, termed MHCLSyn, for synergistic drug combination prediction. First, the synergistic drug-drug-cell line triplets are formulated as a drug synergy hypergraph, and three task-specific hypergraphs are designed based on the drug synergy hypergraph. Then, we design a multi-view hypergraph contrastive learning with enhancement schemes, which allows for more expressive and discriminative node representation learning on drug synergy hypergraph. After that, the representations of nodes indicating drug-drug-cell line triplets are inputted to fully connected network for making predictions. Extensive experiments show MHCLSyn achieves better performance than state-of-the-art prediction models on benchmark datasets and is applicable to unseen drug combinations or cell lines. Case study indicates that MHCLSyn is capable of detecting potential synergistic drug combinations.
Publications
Year

Big Data Mining and Analytics 2024, 7(4): 1273-1286
Published: 04 December 2024
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