Fig. 5

The OPERA Model Calculation Report for the logP calculation for Bisphenol A [79]. The green box containing the word “Inside” indicates that the prediction for this chemical is within the Global Applicability Domain for the model. The Model Results box displays both the local applicability domain index and the confidence level (both ranging from 0 to 1) for the prediction. The Model Performance block of the report provides a plot of the experimental versus predicted data for both the training and test data, as well as a graphic of the distribution of data values for the training and test data. The Weighted kNN model performance characteristics are listed for the 5-fold Cross-Validation and Training/Test 75%/25% splits. Up to 5 nearest neighbors from the training set are shown, along with the measured and predicted data for each