Junjie Xie

This paper introduces a graph convolutional network to predict disease-gene associations by leveraging external collaborative graphs and reducing noise through mutual information maximization.

DiffDec generates structure-aware R-groups for molecular scaffolds using a diffusion model, achieving higher recovery rates and better binding affinity than existing methods.

AIxFuse generates dual-target drugs by learning pharmacophore fusion patterns that satisfy structural constraints from molecular docking, outperforming existing methods in success rate and binding free energy.