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M. C. H. Chua

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Open access Jul 2026

3DICE: interpretable 3D cross-modal learning for drug–target interaction prediction and large-scale drug discovery

3DICE is proposed, a novel framework leveraging co-attention-based fusion and massively pre-trained 3D structural encoders for both drugs and proteins that provides intrinsic interpretability, highlighting and enabling qualitative analysis of most influential atoms or residues.

A. Liu, N. Le, M. C. H. Chua · Bioinformatics · 1 citation