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Predictor discovery in training set

MASS-Conductor. Prediction analysis (NSC, LDA, ROC). Cluster analysis. Predictor discovery in training set. Predictor confirmation in testing set. Pattern analysis in all set. 2. 3. 4. 1. Training set (5 CR, 5 PR of Enbrel ). Testing set (3 Anakinra CR). All set

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Predictor discovery in training set

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  1. MASS-Conductor Prediction analysis (NSC, LDA, ROC) Cluster analysis Predictor discovery in training set Predictor confirmation in testing set Pattern analysis in all set 2 3 4 1 Training set (5 CR, 5 PR of Enbrel) Testing set (3 Anakinra CR) All set (5 Enbrel CR, 5 Enbrel PR, 3 Anakinra CR) LCMS raw spectra Peak finding peak alignment feature extraction NSC Classifier training LDA Class prediction 2d hierarchical clustering heatmap plotting Predictors of 4 ~ 972 features Normalization FIVE-fold Cross-validation Predict Anakinra response Predictors of 972 or 32 features 106246 unique features Classify CR PR of Enbrel FIGURE 1

  2. FIGURE 2 A Feature number Classification error% Values of thresholds Enbrel PR CR 972 feature panel 32 feature panel B Anakinra CR

  3. Enbrel PR CR 972 feature panel 27 feature panel B Enbrel Anakinra Anakinra CR PR CR CR Predictive probability

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