SMILESGNN: Interpretable Clinical Toxicity Prediction via SMILES-Graph Cross-Attention Fusion
arXiv:2609.28553v1 Announce Type: new Abstract: Drug toxicity prediction is critical for reducing late-stage attrition in drug discovery, yet remains challenging due to severe class imbalance, scaffold-based generalization, and the clinical need for interpretable predictions. Single-modality approa…
Read the full story at arXiv cs.LG ↗
Timeline · 1 report
- 2026-09-26 04:00 · arXiv cs.LG
SMILESGNN: Interpretable Clinical Toxicity Prediction via SMILES-Graph Cross-Attention Fusion