A Graph to Graphs Framework for Retrosynthesis Prediction.
Chence ShiMinkai XuHongyu GuoMing ZhangJian TangPublished in: ICML (2020)
Keyphrases
- prediction accuracy
- graph matching
- graph theory
- graph structure
- directed graph
- graph mining
- graph embedding
- graph theoretic
- graph theoretical
- graph structures
- graph based algorithm
- graph model
- weighted graph
- bipartite graph
- graph classification
- relational graph
- spanning tree
- minimum spanning tree
- undirected graph
- connected components