SafeDrug: Dual Molecular Graph Encoders for Safe Drug Recommendations.
Chaoqi YangCao XiaoFenglong MaLucas GlassJimeng SunPublished in: CoRR (2021)
Keyphrases
- drug discovery
- virtual screening
- drug design
- chemical compounds
- graph model
- graph representation
- graph theory
- structured data
- directed graph
- graph structure
- recommender systems
- weighted graph
- connected components
- random walk
- protein function prediction
- graph partitioning
- dna computing
- graph based algorithm
- three dimensional
- graph databases
- spanning tree
- bipartite graph
- graph theoretic
- graph matching
- molecular dynamics