Buckets:
130 MB
6 files
Updated about 2 months ago
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| Name | Size | Uploaded | Xet hash |
|---|---|---|---|
| .gitattributes | 2.56 kB xet | 8e9cd465 | |
| README.md | 1.57 kB xet | be95f0fa | |
| few_shot.jsonl | 30.7 MB xet | 5322ef81 | |
| test.csv | 10 MB xet | 5353310a | |
| train.csv | 79.3 MB xet | a35c2e44 | |
| val.csv | 9.94 MB xet | 14ced354 |
USPTO_Condition
Overview
This dataset contains reaction data in tabular format, with the following fields:
- source: Source or reference ID of the reaction.
- canonical_rxn: The canonical SMILES representation of the reaction (reactants >> products).
- catalyst1: The catalyst used in the reaction (if available).
- solvent1, solvent2: Solvents used in the reaction (if available).
- reagent1, reagent2: Reagents involved in the reaction (if available).
- dataset: Dataset category or tag.
Example Data
| source | canonical_rxn | catalyst1 | solvent1 | solvent2 | reagent1 | reagent2 | dataset |
|---|---|---|---|---|---|---|---|
| US20070112015A1 | CCOC(=O)CN(CC(C)=O)c1c(C)cc(C)cc1C>>Cc1cc(C)c(N2CC(=O)CC(=O)C2)c(C)c1 | C1CCOC1 | CC(C)(C)[O-].[K+] | val |
Preprocessing
The data was processed following the method described in Parrot - USPTO condition script, ensuring consistent SMILES representations and high-quality condition extraction.
License
The dataset is provided under the MIT License.
- Total size
- 130 MB
- Files
- 6
- Last updated
- Aug 12
- Pre-warmed CDN
- US EU US EU