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. 2023 Mar 15;8(12):10875–10887. doi: 10.1021/acsomega.2c07176

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