2 papers
cs.LG2026
SMILESGNN: Interpretable Clinical Toxicity Prediction via SMILES-Graph Cross-Attention Fusion
Quang Minh Nguyen, Thuy Quynh Nguyen, Duc Minh Le +3
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…
math.NA2026
Reconstruction and Range Characterization for a Directional Confocal Non-Line-of-Sight Imaging Model
Lingyun Qiu, Zuoqiang Shi, Jianyu Wang +1
We study the reconstruction of a directional albedo field from confocal non-line-of-sight measurements. For mirror-symmetric vector fields in Sobolev spaces, radial preprocessing r…