Table 1 Fraction of molecules for which the individual algorithm was able to find at least one viable synthesis route and mean number of routes found for a given search time
From: Generating diversity and securing completeness in algorithmic retrosynthesis
Search time [s] | DFPN* | MCTS | DFPN* | MCTS |
|---|---|---|---|---|
Solved molecules [%] | Mean # of routes | |||
60 | 83 | 76 | 34.84 | 13.87 |
120 | 87 | 84 | 64.84 | 57.16 |
300 | 90 | 89 | 138.92 | 266.66 |
600 | 92 | 92 | 216.3 | 396.45 |
900 | 93 | 93 | 257.67 | 435.04 |
1200 | 94 | 94 | 284.21 | 445.04 |