kosmos.ml.datasets.qsar_dataset

Classes

class QSARDataset(*, min_max_scaler: bool = True)

Bases: kosmos.ml.datasets.dataset.SLDataset

QSAR biodegration dataset for binary classification.

Notes

  • Number of instances: 1055

  • Number of features: 41 numeric

  • Classes: 2 (slightly imbalanced, RD (ready biodegradable) ca 34%; NRB ca 66%)

References

Initialize the dataset.

Parameters:

min_max_scaler (bool) – Whether to apply min-max scaling to the features.


Properties

property class_names

NRB->0 (not ready biodegradable) RB->1.

Type:

Return human-readable class labels and map

property input_dimension

Number of feature columns.

property output_dim

Number of distinct classes.