Table 8.
Model | BLEU | Exact | Levenshtein | MACCS | RDK | Morgan | FCD | Text2Mol | Validity |
---|---|---|---|---|---|---|---|---|---|
FT-DrugBank | 0.0154 | 0.0000 | 174.0865 | 0.0440 | 0.0354 | 0.0513 | 0.0000 | 0.0000 | 0.0050 |
FT-ChEMBL | 0.0136 | 0.0000 | 454.1142 | 0.1455 | 0.0233 | 0.0327 | 0.0000 | 0.0000 | 0.0073 |
SUB-DrugBank | 0.0175 | 0.0000 | 170.0050 | 0.0452 | 0.0140 | 0.0532 | 0.0000 | 0.0000 | 0.0067 |
SUB-ChEMBL | 0.0252 | 0.0000 | 281.2072 | 0.0605 | 0.0239 | 0.0493 | 0.0000 | 0.1989 | 0.0090 |
FULL-DrugBank | 0.0174 | 0.0000 | 175.9574 | 0.0825 | 0.0552 | 0.0532 | 0.0000 | 0.0728 | 0.0087 |
FULL-ChEMBL | 0.0234 | 0.0000 | 286.5869 | 0.1180 | 0.0449 | 0.0356 | 0.0000 | 0.2707 | 0.0072 |
Significant values are in [boldunderlined].