Table 3.
Metrics | Description |
---|---|
PV | Percentage of valid molecules in the set |
PU | Percentage of unique molecules in the set |
PPT | Percentage of molecules that were finished through sampling of finish action |
PVPT | Percentage of valid molecules in the set of PPT molecules |
Average number of nodes per graph in the set | |
Average number of edges per node | |
UC-JSD | Uniformity-completeness Jensen–Shannon divergence |