MolFPG: Multi-level fingerprint-based Graph Transformer for accurate and robust drug toxicity prediction.
Saisai TengChenglin YinYu WangXiandong ChenZhongmin YanLizhen CuiLeyi WeiPublished in: Comput. Biol. Medicine (2023)
Keyphrases
- chemical compounds
- computationally efficient
- drug discovery
- prediction accuracy
- highly accurate
- drug design
- random walk
- high quality
- power system
- prediction error
- graph model
- graph theoretic
- prediction algorithm
- fault diagnosis
- connected components
- prediction model
- bipartite graph
- graph theory
- graph structure
- graph data
- fuzzy logic