Mean performance of the benchmarked descriptor sets in the PIs 70–30 validation experiments. The mean is calculated over all repeats (performed 10 times) and the error bar represents the standard deviation. Shown are the R02(A) and the RMSE (B). Slightly more variance between descriptor sets is seen compared to the GPCR experiments and NNRTI experiments. In this case ProtFP (Feature) performs the worst among all descriptor sets considered, while BLOSUM performs the best.