| --- |
| dataset_info: |
| features: |
| - name: dataset_id |
| dtype: large_string |
| - name: reaction_id |
| dtype: large_string |
| - name: reaction_smiles |
| dtype: large_string |
| - name: rxn_insight_reaction |
| dtype: large_string |
| - name: mapped_reaction_smiles |
| dtype: large_string |
| - name: reactant_smiles |
| dtype: large_string |
| - name: product_smiles |
| dtype: large_string |
| - name: reagent_smiles |
| dtype: large_string |
| - name: catalyst_smiles |
| dtype: large_string |
| - name: solvent_smiles |
| dtype: large_string |
| - name: rxn_insight_class |
| dtype: large_string |
| - name: rxn_insight_name |
| dtype: large_string |
| - name: rxn_insight_tag |
| dtype: large_string |
| - name: rxn_insight_tag2 |
| dtype: large_string |
| - name: rxn_insight_scaffold |
| dtype: large_string |
| - name: rxn_insight_template |
| dtype: large_string |
| - name: yield_percent |
| dtype: float64 |
| - name: yield_measurements |
| dtype: large_string |
| - name: temperature_value |
| dtype: float64 |
| - name: temperature_units |
| dtype: large_string |
| - name: reaction_time_value |
| dtype: float64 |
| - name: time_units |
| dtype: large_string |
| - name: procedure_details |
| dtype: large_string |
| - name: reference |
| dtype: large_string |
| - name: doi |
| dtype: large_string |
| - name: functional_groups_reactants |
| dtype: large_string |
| - name: functional_groups_products |
| dtype: large_string |
| - name: participating_rings_reactants |
| dtype: large_string |
| - name: participating_rings_products |
| dtype: large_string |
| - name: all_rings_products |
| dtype: large_string |
| - name: byproduct_smiles |
| dtype: large_string |
| - name: agent_smiles |
| dtype: large_string |
| - name: temperature_c |
| dtype: float64 |
| - name: reaction_time_hours |
| dtype: float64 |
| - name: reaction_smiles_with_agents |
| dtype: large_string |
| splits: |
| - name: train |
| num_bytes: 4397057784 |
| num_examples: 1714259 |
| download_size: 1039075428 |
| dataset_size: 4397057784 |
| configs: |
| - config_name: default |
| data_files: |
| - split: train |
| path: data/train-* |
| --- |
| |
