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README.md
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data_files:
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- split: test
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path: data/test-*
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---
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data_files:
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- split: test
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path: data/test-*
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license: cc-by-nc-sa-4.0
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task_categories:
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- text-classification
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language:
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- en
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tags:
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- chemistry
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- pubchem
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- SMILES
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size_categories:
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- 1K<n<10K
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pretty_name: PubChem Canonical SMILES and Titles Pair Classification
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---
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# PubChem Canonical SMILES and Titles Pair Classification
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This dataset contains pairs of canonical SMILES strings and their corresponding entity titles, with labels indicating whether they refer to the same chemical entity. A label of 1 means the SMILES string and the title correspond to the same entity, while a label of 0 indicates they do not. The dataset is sourced from PubChem ([ChEBI](https://www.ebi.ac.uk/chebi/) source), and it provides valuable information for tasks involving chemical entity matching.
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