2 papers
cs.LG2026
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…
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…