Abstract: Highlights•MNNEL-DTA integrates multi-view features: sequences, 3D structures, and interactions.•Achieved 9.2% & 8.9% improvement on Davis & KIBA, outperforming other SOTA models.•MNNEL-DTA offers visualization of attention weights, analyzing ensemble components.•Applied for AD drug repurposing, suggesting Glutethimide & Memantine as key drugs.
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