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Table 10 Predicted SMILES with lower Tanimoto similarity indices compared with the original SMILES

From: DECIMER 1.0: deep learning for chemical image recognition using transformers

No.

Original SMILES

Predicted SMILES

Tanimoto similarity index

1

P#CP=PP=PP=PP=PP=PP=PP=PP=PP=PP=PP=P

N#CC=NSSSSSSSSSSSSSSSSC=N

0

2

N1=NOO1

C=1=NOC1

0.14

3

OC1OC(C=2C(F)=C(F)C(F)=C(F)C21)C)C

O=C(OCOCCC(F)=C(F)C(F)=C(F)C)NC

0.35

4

OCC(C)(CO)C12CCC(C1)C3SSSC32

OCC(C)(CO)C1C=2SSSC2CCC1C

0.59

5

O=C1N=CC2=CC(=O)C=CC2=N1

O=C1N=CC2=NC(=O)C=CC2=N1

0.81