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. 2019 Jun 4;24(11):2115. doi: 10.3390/molecules24112115

Table 8.

Performance statistics for PNNs with retained predictivity generated with the specified error in each split.

Model %Error Before Failure ROC AUC Top 10% Mean IC50 (nM) Mean IC50 (nM) Bottom 10% Mean IC50 (nM) Fold Difference in Mean Top 10% IC50
ALK < 20 nM PNN Control 0.782 34.7 4200 19,000 550
Split 1 Pre-failure 15 0.701 14.0 4200 2700 190
Split 2 Pre-failure 25 0.706 637 3300 5500 8.6
Split 3 Pre-failure 10 0.736 375 4100 7400 20