| dataset_info: | |
| features: | |
| - name: title | |
| dtype: string | |
| - name: canonical_smiles | |
| dtype: string | |
| - name: labels | |
| dtype: int64 | |
| splits: | |
| - name: test | |
| num_bytes: 140926 | |
| num_examples: 2048 | |
| download_size: 74190 | |
| dataset_size: 140926 | |
| configs: | |
| - config_name: default | |
| data_files: | |
| - split: test | |
| path: data/test-* | |
| license: cc-by-nc-sa-4.0 | |
| task_categories: | |
| - text-classification | |
| language: | |
| - en | |
| tags: | |
| - chemistry | |
| - pubchem | |
| - SMILES | |
| - chemteb | |
| size_categories: | |
| - 1K<n<10K | |
| pretty_name: PubChem Canonical SMILES and Titles Pair Classification | |
| # PubChem Canonical SMILES and Titles Pair Classification | |
| 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. |