Fig. 4

Average model performance grouped by endpoints and tools. R²avg and BAavg are the average R² and BA values resulting from the single validations (i.e., prediction of a single dataset with a single model) made for a given property or with a single tool. The number of validations contributing to R²avg and BAavg and the standard deviation associated with average values are also reported. The performance of the models limited to predictions inside the model applicability domain (in AD) and outside the model training sets (out TS) are also reported when available