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Performance metrics of the final (10th) population from DEL using FragVAE and JTVAE, respectively, on two datasets.
| Model | Dataset | Validity | Novelty | Uniqueness |
|---|---|---|---|---|
| FragVAE+DEL | ZINC | 0.981 | 0.999 | 0.912 |
| JTVAE+DEL | ZINC | 1 | 0.985 | 0.939 |
| FragVAE+DEL | ZINC+DrugBank | 0.962 | 0.999 | 0.959 |
| JTVAE+DEL | ZINC+DrugBank | 1 | 0.988 | 0.939 |
