Table 5 DrugBank indication-to-drug results.

From: Emerging opportunities of using large language models for translation between drug molecules and indications

Model

BLEU

Exact

Levenshtein

MACCS

RDK

Morgan

FCD

Text2Mol

Validity

FT-small

0.0020

0.0000

77.0375

0.0408

0.0023

0.0241

0.0000

0.0000

0.0017

SUB-small

0.1524

0.0000

89.3278

0.2747

0.1729

0.1026

0.0000

0.1663

0.3661

FULL-small

0.1627

0.0003

87.0366

0.2822

0.1644

0.0992

11.2862

0.0645

0.3628

FT-base

0.0002

0.0000

640.9418

0.0000

0.0000

0.0000

0.0000

0.0000

0.0017

SUB-base

0.1563

0.0000

92.9151

0.3147

0.1898

0.1214

0.0000

0.1220

0.3278

FULL-base

0.1614

0.0003

95.0343

0.3145

0.1933

0.1177

11.2079

0.1472

0.3106

FT-large

0.0000

0.0000

1315.0585

0.0000

0.0000

0.0000

0.0000

0.1472

0.0000

SUB-large

0.1314

0.0166

113.3877

0.3907

0.2758

0.1673

0.0000

0.2972

0.5655

FULL-large

0.1375

0.0163

114.6298

0.3982

0.2819

0.1709

5.5990

0.2516

0.5462

  1. Significant values are in [boldunderlined].
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