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Table 3 Summary of Different Types of OpenTox Reports

From: Collaborative development of predictive toxicology applications

Standard reports
Report type Specific information included in the report
Prediction of a single (unseen) component Activity, applicability domain, confidence
Prediction of multiple (unseen) components Ranking according to activity/confidence
Validation of a model Different performance criteria (on various datasets), based on cross-validation/external test set validation
Making predictions on a particular dataset Prediction results of various algorithms
Comparison of different models/algorithms Ranking according to different performance criteria
Extended reports
Report type Specific information included in the report
Evaluation of a feature generation algorithm Performance of various algorithms using the generated features compared to other features
Evaluation of a feature selection algorithm Performance of various algorithms using the selected features compared to no feature selection