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Table 1 Summary of datasets for SMILES to IUPAC name translation with character and word splits

From: STOUT V2.0: SMILES to IUPAC name conversion using transformer models

 

IUPAC name character split

IUPAC name word split

 

Input token count

Maximum input length

Output token count

Maximum Output length

Average training time (per epoch)

Input token count

Maximum input length

Output token count

Maximum output length

Average training time (per epoch)

1 million

125

150

64

150

50 s

125

150

855

150

57 s

10 million

126

200

64

300

6 min 10 s

126

200

1199

300

7 min 8 s

50 million

132

400

66

400

55 min 43 s

132

400

1501

400

1 h 14 min 53 s