Datasets:
| license: odc-by | |
| task_categories: | |
| - mask-generation | |
| tags: | |
| - chemistry | |
| - smiles | |
| - cheminformatics | |
| pretty_name: SAFE PubChem 10M | |
| size_categories: | |
| - 10M<n<100M | |
| # PubChem 10M - SAFE Dataset | |
| This dataset is derived from the original **PubChem 10M**. SAFE (sequential attachment-based fragment embedding) representations were generated using **safe-mol (0.1.13)**. | |
| ### Dataset Overview: | |
| - **Source:** PubChem 10M | |
| - **SAFE representation:** safe-mol (0.1.13) | |
| - **Total Entries:** **10M SMILES** |