| --- |
| license: cdla-permissive-2.0 |
| task_categories: |
| - tabular-regression |
| pretty_name: Gum1_s |
| tags: |
| - tabular |
| - metabolomics |
| - regression |
| - Biomedical |
| - Benchmark |
| - mass-spectrometry |
| - volatile-organic-compounds |
| configs: |
| - config_name: Gum1_s |
| data_files: |
| - split: fold_0_train |
| path: data/fold_0/train.parquet |
| - split: fold_0_validation |
| path: data/fold_0/val.parquet |
| - split: fold_0_test |
| path: data/fold_0/test.parquet |
| - split: fold_1_train |
| path: data/fold_1/train.parquet |
| - split: fold_1_validation |
| path: data/fold_1/val.parquet |
| - split: fold_1_test |
| path: data/fold_1/test.parquet |
| - split: fold_2_train |
| path: data/fold_2/train.parquet |
| - split: fold_2_validation |
| path: data/fold_2/val.parquet |
| - split: fold_2_test |
| path: data/fold_2/test.parquet |
| - split: fold_3_train |
| path: data/fold_3/train.parquet |
| - split: fold_3_validation |
| path: data/fold_3/val.parquet |
| - split: fold_3_test |
| path: data/fold_3/test.parquet |
| - split: fold_4_train |
| path: data/fold_4/train.parquet |
| - split: fold_4_validation |
| path: data/fold_4/val.parquet |
| - split: fold_4_test |
| path: data/fold_4/test.parquet |
| dataset_info: |
| description: 'PTR-ToF-MS analysis of chewing gum base material (267 samples, 167 |
| peaks, 27 batches of technical replicates). Regression: predicted value is the |
| percentage concentration of component 1 in the base material formulation. S/P=1.60. |
| Features are standard-scaled (StandardScaler). 5-fold cross-validation splits |
| are batch-aware: all samples sharing the same measurement batch (IDs field) are |
| kept together in the same fold to prevent data leakage from technical replicates |
| and batch effects.' |
| --- |
| |
