Change Log

From v3.1.1 to v3.2.0

Fixes

• Fixed a bug in ChempropModel that caused it not to work with missing values in the target column.

Changes

• calibration_score is now implemented under the Metric class as CalibrationScore.

New Features

• Added a range of new metrics: BEDROC, EnrichmentFactor, RobustInitialEnhancement, Prevalence, Sensitivity, Specificity, PositivePredictivity, NegativePredictivity, CohenKappa, BalancedPositivePredictivity, BalancedNegativePredictivity, BalancedMatthewsCorrcoeff, BalancedCohenKappa, KSlope, R20, KPrimeSlope, RPrime20, Pearson, Spearman, Kendall, AverageFoldError, AbsoluteAverageFoldError, PercentageWithinFoldError
• Added MaskedMetric which can be wrapped around any metric to mask datapoints when a target value is missing.
• Added a tutorial on model and data serialization.
• ApplicabilityDomain now has a transform method that can be used to transform a dataset to a continuous applicability domain score, such as the distance to the nearest neighbor in the training set (an example was added to the tutorials).

Removed Features

None.