| Filename | Source | Description | Uploaded At | Storage | Operation |
|---|---|---|---|---|---|
| melting_point_output.csv | Citrination | Chemical formula of a compound was an 'SMILE' object. | 2025-08-26 14:37:03 | Drive | View | Download |
| features.csv | Self | RDKit's MolFromSmiles function was used to extract the chemical names of the parsed dataset. Those molecules were fed to GetMorganGenerator from radial (up to 2 were considered) nearest neighbor chemistry featurizer of RDKit. Some custom features, counting different bond types in a molecule, were used. | 2025-08-26 14:37:00 | Drive | View | Download |
| targets.csv | Self | Curated targets for ML | 2025-08-26 14:36:58 | Drive | View | Download |