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Table 7 Testing results of the models trained on 10 million molecule images of chemical structure depictions

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

Metrics

InceptionV3

EfficientNet-B3

Train data size

10,240,000

10,240,000

Test data size

1,024,000

1,024,000

Tanimoto

0.9310

0.9695

Tanimoto 1.0

74.52%

87.85%