Table 1 Key methods introduced in this work

CPP

Interpretable feature engineering algorithm

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.CPP.html

dPULearn

Deterministic positive-unlabeled learning method

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.dPULearn.html

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.dPULearnPlot.pca.html

CPP plotting functions

CPP ranking plot

CPP profile

CPP feature map

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.CPPPlot.ranking.html

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.CPPPlot.profile.html

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.CPPPlot.feature_map.html

Fuzzy labeling

Labeling technique for samples with an unknown class.

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.ShapModel.fit.html#aaanalysis.ShapModel.fit

CPP-SHAP plotting functions

CPP-SHAP ranking plot

CPP-SHAP profile

CPP/-SHAP heatmap

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.CPPPlot.ranking.html

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.CPPPlot.profile.html

https://aaanalysis.readthedocs.io/en/latest/generated/aaanalysis.CPPPlot.heatmap.html