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. 2024 May 10;14:10738. doi: 10.1038/s41598-024-61124-0

Table 8.

Results for MolT5 augmented with custom tokenizer, indication-to-drug.

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].