Momentum Contrast-Enhanced Multimodal Representation Learning for Drug Synergy Prediction
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ID: 321457
2026
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Abstract
MOTIVATION: Accurate prediction of synergistic drug combinations can accelerate anticancer combination discovery. Existing methods inadequately model higher-order drug-drug-cell-line interactions and drug-disease associations and remain sensitive to sparse and noisy multi-omics data, limiting generalization to unseen cell lines and drug combinations. RESULTS: We present MoCo-MultiSynergy, a multimodal framework that combines modality-specific momentum contrastive learning with heterogeneous hypergraph modeling. The hypergraph represents synergistic drug-drug-cell-line triplets and drug-disease associations, while gated residual propagation refines node representations. Momentum Contrast modules regularize encoded drug and cell-line representations using latent feature masking and Gaussian perturbation. On the O'Neil and NCI-ALMANAC datasets, MoCo-MultiSynergy achieves the highest AUROC and AUPRC across the evaluated settings, with the largest gains when generalizing to unseen cell lines and drug combinations. AVAILABILITY AND IMPLEMENTATION: Source code is available at https://github.com/27167199/MoCo-MultiSynergy.
| Reference Key |
openalex_W7169533362
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|---|---|
| Authors | Yu Gu, Xindi Huang, Lifen Shi, Le Chen, Guihua Duan, Cheng Yan |
| Journal | BMC Bioinformatics |
| Year | 2026 |
| DOI |
10.1093/bioinformatics/btag530
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| URL | |
| Keywords | Keywords not found |
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