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Structure Preprocessing
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Validation of molecules
Standardization of molecules
Custom Preprocessing
Data Preprocessing
Imputation of missing values
Removing low variance features
Removing high correlation features
Univariate feature selection
Tree-based feature selection
RFE feature selection
Modelling Process
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Feature Calculation
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Feature importance
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Statistical Analysis
Random training set split
Diverse training set split
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Classifier
Parameter
AUC score
Accuracy
MCC
F1 score
Sensitivity
Specificity
Number of positive samples
Number of negative samples
ROC curve