Run
9955237

Run 9955237

Task 9957 (Supervised Classification) qsar-biodeg Uploaded 11-01-2019 by Scikit-learn Bot
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Flow

sklearn.pipeline.Pipeline(columntransformer=sklearn.compose._column_transfo rmer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.pr eprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.St andardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.imput e.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder )),variancethreshold=sklearn.feature_selection.variance_threshold.VarianceT hreshold,gradientboostingclassifier=sklearn.ensemble.gradient_boosting.Grad ientBoostingClassifier)(3)Automatically created scikit-learn flow.
sklearn.pipeline.Pipeline(columntransformer=sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder)),variancethreshold=sklearn.feature_selection.variance_threshold.VarianceThreshold,gradientboostingclassifier=sklearn.ensemble.gradient_boosting.GradientBoostingClassifier)(3)_memorynull
sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder))(3)_n_jobsnull
sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder))(3)_remainder"passthrough"
sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder))(3)_sparse_threshold0.3
sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder))(3)_transformer_weightsnull
sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler)(3)_memorynull
sklearn.preprocessing.imputation.Imputer(34)_axis0
sklearn.preprocessing.imputation.Imputer(34)_copytrue
sklearn.preprocessing.imputation.Imputer(34)_missing_values"NaN"
sklearn.preprocessing.imputation.Imputer(34)_strategy"most_frequent"
sklearn.preprocessing.imputation.Imputer(34)_verbose0
sklearn.preprocessing.data.StandardScaler(20)_copytrue
sklearn.preprocessing.data.StandardScaler(20)_with_meantrue
sklearn.preprocessing.data.StandardScaler(20)_with_stdtrue
sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder)(3)_memorynull
sklearn.impute.SimpleImputer(6)_copytrue
sklearn.impute.SimpleImputer(6)_fill_value-1
sklearn.impute.SimpleImputer(6)_missing_valuesNaN
sklearn.impute.SimpleImputer(6)_strategy"constant"
sklearn.impute.SimpleImputer(6)_verbose0
sklearn.preprocessing._encoders.OneHotEncoder(6)_categorical_featuresnull
sklearn.preprocessing._encoders.OneHotEncoder(6)_categoriesnull
sklearn.preprocessing._encoders.OneHotEncoder(6)_dtype{"oml-python:serialized_object": "type", "value": "np.float64"}
sklearn.preprocessing._encoders.OneHotEncoder(6)_handle_unknown"ignore"
sklearn.preprocessing._encoders.OneHotEncoder(6)_n_valuesnull
sklearn.preprocessing._encoders.OneHotEncoder(6)_sparsetrue
sklearn.feature_selection.variance_threshold.VarianceThreshold(21)_threshold0.0
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_criterion"friedman_mse"
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_initnull
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_learning_rate0.049450845816460885
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_loss"deviance"
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_max_depth2
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_max_features0.5145354979049074
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_max_leaf_nodesnull
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_min_impurity_decrease0.8758304515835368
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_min_impurity_splitnull
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_min_samples_leaf7
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_min_samples_split7
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_min_weight_fraction_leaf0.23088389012548322
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_n_estimators371
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_n_iter_no_change66
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_presort"auto"
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_random_state19936
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_subsample0.6184305602631628
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_tol0.0004342317497604064
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_validation_fraction0.7596083269267618
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_verbose0
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(16)_warm_startfalse

Result files

xml
Description

XML file describing the run, including user-defined evaluation measures.

arff
Predictions

ARFF file with instance-level predictions generated by the model.

17 Evaluation measures

Area under ROC curve
0.8842 ± 0.0345
Per class
Cross-validation details (10-fold Crossvalidation)
F measure
0.8015 ± 0.0456
Per class
Cross-validation details (10-fold Crossvalidation)
Kappa
0.5516 ± 0.1057
Cross-validation details (10-fold Crossvalidation)
KB relative information score
421.1201 ± 6.3461
Cross-validation details (10-fold Crossvalidation)
Mean absolute error
0.2768 ± 0.0238
Cross-validation details (10-fold Crossvalidation)
Mean prior absolute error
0.4472 ± 0.0012
Cross-validation details (10-fold Crossvalidation)
Number of instances
1055
Per class
Cross-validation details (10-fold Crossvalidation)
Precision
0.8006 ± 0.0458
Per class
Cross-validation details (10-fold Crossvalidation)
Predictive accuracy
0.8038 ± 0.0421
Cross-validation details (10-fold Crossvalidation)
Prior entropy
0.9226
Cross-validation details (10-fold Crossvalidation)
Recall
0.8038 ± 0.0421
Per class
Cross-validation details (10-fold Crossvalidation)
Relative absolute error
0.619 ± 0.0529
Cross-validation details (10-fold Crossvalidation)
Root mean prior squared error
0.4728 ± 0.0013
Cross-validation details (10-fold Crossvalidation)
Root mean squared error
0.3592 ± 0.025
Cross-validation details (10-fold Crossvalidation)
Root relative squared error
0.7597 ± 0.0527
Cross-validation details (10-fold Crossvalidation)