A Graph to Graphs Framework for Retrosynthesis Prediction.
Chence ShiMinkai XuHongyu GuoMing ZhangJian TangPublished in: CoRR (2020)
Keyphrases
- graph structure
- graph representation
- graph theoretical
- graph embedding
- prediction accuracy
- spanning tree
- graph databases
- graph model
- directed graph
- weighted graph
- graph theory
- bipartite graph
- graph matching
- graph theoretic
- graph construction
- random walk
- series parallel
- maximum clique
- graph properties
- polynomial time complexity