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VINCENT: Validated Interaction Network for Cross-drug Explanation of Therapeutics

arXiv · AI, language, vision and robotics · article · Aug 26, 2026 · UTC

Drug synergy prediction estimates whether two drugs produce a stronger joint effect than expected from their individual activities. For drug combination discovery, a single synergy score is often not enough: researchers also need to know which molecular regions jointly drive the prediction. We study motif-pair synergy explanation, which identifies pairs of chemically coherent regions, one from each drug, that jointly contribute to predicted synergy. Existing interpretable synergy models expose atom- or substructure-level signals, but their explanations are built into the predictor architecture

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