Table 6.
Statistical MPPs obtained on test set 2 after removal of outliers.
| Removed Compounds | R 2 | RMSE | Bias | % ± 0.5 Log |
|---|---|---|---|---|
| None (full test set 2) | 0.70 | 1.18 | −0.133 | 31 |
| Amiodarone | 0.74 | 1.00 | −0.019 | 32 |
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