Aug 2026
SSE-DDI: Selective Substructure Encoding with Bond-Centered Molecular Representations for Drug-Drug Interaction Prediction.
SSE-DDI introduces a bond-level substructure-selective encoder in molecular line graphs, where chemical bonds serve as fundamental representation units and DDI-relevant local patterns are emphasized before drug-level representation learning.
Shi-Wei Gao, Tianqi Chen, Xiao-Wan Chen et al.
· Journal of Chemical Informat... · 0 citations