ChemTEB Pair Classification Datasets
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Chemical Pair Classification Datasets for Evaluating Text Embedding Models
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PubChem Canonical SMILES and Descriptions Pair Classification
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 source), and it provides valuable information for tasks involving chemical entity matching and description analysis.
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