2 papers
cs.LG2026
Cross-Domain Molecular Relational Learning: Leveraging Chemical Structure-Activity Analysis
Peiliang Zhang, Jingling Yuan, Shiqing Wu +4
Recent advances in molecular representation integrates molecular topological and visual modalities, opening new avenues for precise Molecular Relational Learning (MRL). Existing MR…
cs.LG2025
Representational Alignment with Chemical Induced Fit for Molecular Relational Learning
Peiliang Zhang, Jingling Yuan, Qing Xie +3
Molecular Relational Learning (MRL) is widely applied in natural sciences to predict relationships between molecular pairs by extracting structural features. The representational s…