Figure 8
From: Supervised extensions of chemography approaches: case studies of chemical liabilities assessment
The examples of outliers, identified by LOF for combination of phospholipidosis and SMF descriptors and the influence of their exclusion on the Balanced Accuracy of a corresponding GTM model. The compounds given as examples are the ones that were marked as the most distant from the applicability domain. The red area on the diagram reflects the influence of their exclusion on the Balanced Accuracy of the model.