ChemTEB Pair Classification Datasets
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Chemical Pair Classification Datasets for Evaluating Text Embedding Models • 10 items • Updated
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PubChem Isomeric SMILES and Titles Pair Classification
This dataset contains pairs of isomeric 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 source), and it provides valuable information for tasks involving chemical entity matching.
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