RetroGraph: Retrosynthetic Planning with Graph Search.

Shufang Xie Rui Yan Peng Han Yingce Xia Lijun Wu Chenjuan Guo Bin Yang Tao Qin

Published in: KDD (2022)

Keyphrases

graph search
heuristic search
duplicate detection
search algorithm
search problems
depth first search
graph databases
memory efficient
search methods
tree search
planning problems
shortest path
orders of magnitude
nearest neighbor
domain independent
search tree
path finding
search space
optimal solution