From: SwinOCSR: end-to-end optical chemical structure recognition using a Swin Transformer
Items | Molecule 1 | Molecule 2 |
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The real-world image derived from the literature | ||
Manual-labeled SMILES | CC1 = CC = CC(= C1)N | C1 = C(N(C(= O)C(= C1[R3])[R4])[R8])[R] |
Predicted SMILES from the real-world image | [CH3-]C1 = CC = CC(= C1)N.[I-] | CC(C)(C)C1 = CC(= CC(= O)N1[Rx])[R3] |
Generated image from the above-mentioned predicted SMILES |
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Generated image from manual-labeled SMILES by CDK |
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Predicted SMILES from the generated image | CC1 = CC = CC(= C1)N | C1 = C(N(C(= O)C(= C1[R3])[R4])[R8])[R] |