Molecular graph enhanced transformer for retrosynthesis prediction.
Kelong MaoXi XiaoTingyang XuYu RongJunzhou HuangPeilin ZhaoPublished in: Neurocomputing (2021)
Keyphrases
- protein function prediction
- prediction accuracy
- graph representation
- three dimensional
- fuzzy logic
- random walk
- directed acyclic graph
- graph theoretic
- prediction model
- graph structure
- prediction algorithm
- graph structures
- graph databases
- graph construction
- computational methods
- dependency graph
- drug design
- hiv protease
- graph model
- graph mining
- neural network
- bipartite graph
- connected components
- microarray
- fault diagnosis
- semi supervised
- pairwise
- data mining