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README.md
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@@ -40,6 +40,7 @@ Each dataset includes the following columns:
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- Type: Interference type (e.g., Autofluorescence, REDOX)
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- AID: PubChem Assay ID
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- CID: PubChem Compound ID
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- SMILES: Curated chemical representation
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The final dataset is suitable for training and evaluating machine learning models.
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- Type: Interference type (e.g., Autofluorescence, REDOX)
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- AID: PubChem Assay ID
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- CID: PubChem Compound ID
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(Some CID would not match its SMILES as we did SMILES sanitization)
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- SMILES: Curated chemical representation
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The final dataset is suitable for training and evaluating machine learning models.
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