Table 2 Average statistics of convergent routes test set
From: Improving route development using convergent retrosynthesis planning
J&J ELN | USPTO | |
|---|---|---|
Target molecules | 7.4 | 9.7 |
Route Length | 2.5 | 3.3 |
Common intermediates | 2.9 | 4.0 |
Building blocks | 6.2 | 10.1 |
Molecules | 16.8 | 27.3 |
Reactions | 10.6 | 17.2 |
Reactants per reaction | 1.6 | 1.6 |
Target molecules per intermediate | 4.3 | 4.8 |