Table 2. Evaluation Metrics.
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 |
νav | average number of nodes per graph in the set |
εav | average number of edges per node |
UC-JSD | uniformity-completeness Jensen–Shannon divergence |