Figure 1.

The process of model population analysis (MPA)-based outlier elimination on the FTC dataset of integrated descriptors. The dashed line is defined as the boundary for outliers, which is mean ± 3× standard deviation of prediction errors. (A) No outlier was eliminated, (B) sample No. 181 was eliminated, (C) sample No. 183 was eliminated, (D) sample No. 182 was eliminated, (E) sample No. 134 was eliminated, (F) sample No. 151 was eliminated, (G) sample No. 153 was eliminated, and (H) sample No. 188 was eliminated and all of the outliers were removed.