Unified and explainable molecular representation learning for imperfectly annotated data from the hypergraph view
OmniMol is presented, a framework using hypergraphs to improve predictions of molecular properties, addressing challenges of imperfect data annotation and enhancing model explainability, and achieves state-of-the-art performance in properties prediction.
Bowen Wang, Junyou Li, Donghao Zhou et al.
· Nature Communications · 11 citations