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- ---
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- dataset_info:
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- features:
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- - name: description
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- dtype: string
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- - name: canonical_smiles
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- dtype: string
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- - name: labels
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- dtype: int64
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- splits:
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- - name: test
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- num_bytes: 395996
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- num_examples: 2048
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- download_size: 180719
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- dataset_size: 395996
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- configs:
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- - config_name: default
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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 Descriptions Pair Classification
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- ---
 
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  # PubChem Canonical SMILES and Descriptions Pair Classification
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  This dataset contains pairs of canonical SMILES strings and their corresponding descriptions, with labels indicating whether they refer to the same chemical entity. A label of 1 means the SMILES string and the description 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 and description analysis.
 
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+ ---
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+ dataset_info:
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+ features:
4
+ - name: description
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+ dtype: string
6
+ - name: canonical_smiles
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+ dtype: string
8
+ - name: labels
9
+ dtype: int64
10
+ splits:
11
+ - name: test
12
+ num_bytes: 395996
13
+ num_examples: 2048
14
+ download_size: 180719
15
+ dataset_size: 395996
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+ configs:
17
+ - config_name: default
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+ data_files:
19
+ - 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:
25
+ - en
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+ tags:
27
+ - chemistry
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+ - pubchem
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+ - SMILES
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+ - chemteb
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+ size_categories:
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+ - 1K<n<10K
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+ pretty_name: PubChem Canonical SMILES and Descriptions Pair Classification
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+ ---
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  # PubChem Canonical SMILES and Descriptions Pair Classification
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  This dataset contains pairs of canonical SMILES strings and their corresponding descriptions, with labels indicating whether they refer to the same chemical entity. A label of 1 means the SMILES string and the description 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 and description analysis.