Figure 10

Mean performance of the benchmarked descriptor sets in the PIs LOSO validation experiments. The mean is calculated over all mutants (leaving out 10% at a time) and the error bar represents the standard deviation. Shown are the R₀²(A) and the RMSE (B). Again for individual targets larger performance differences occur (see main text for details). In this part of the study ProtFP (Feature) performs poorly, while it performs very well when paired with Z-Scales (3). The best performance is by Z-Scales (3).