Example of prediction confidence estimation using product P123: Out of the 18 ligands tested, 16 ligands yielded results as predicted (< 20%), resulting in an estimated prediction confidence of 85%. (B) Prediction confidence map constructed utilizing estimated confidence values for each product within this study (encompassing both training and validation sets) and radial basis function interpolation method. Areas shaded in darker blue indicate higher confidence in predicting "on" reactivity, whereas darker red denotes greater confidence in predicting "off" reactivity. The targeted product P123 is highlighted with a white contour, while its two nearest neighbors are highlighted with black contours. The recommended ligands are marked (*) and L28 appears in both neighbors (**).