Unified Knowledge-Guided Molecular Graph Encoder with multimodal fusion and multi-task learning

Mukun Chen, Xiuwen Gong, Shirui Pan, Jia Wu, Fu Lin, Bo Du, Wenbin Hu

Abstract: Highlights•UKGE integrates meta-path attention to model intricate molecular interactions effectively.•We combines geometric and semantic data for enhanced molecular representations.•We achieves state-of-the-art results in DDI, CPI, and LBDD, proving UKGE’s robustness.