The amide r i model is the least suited scale based on its applicability domain coverage since only 44500 (i.e., 48.5%) chemicals fell within the applicability domain. For the chemicals that were outside the applicability domain, 18988 had a leverage value between 0.189 and 1 (i.e., similar to the full training set) and 28249 had an even higher leverage value. As expected the chemicals classified as 'maybe' inside RPLC are mainly clustering around the lower and higher r i values. While the chemicals classified as 'outside' the RPLC space span the entire r i range for each of the three r i series, suggesting that r i prediction would also be insufficient to define the boundaries of the RPLC subspace.