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If this outlier is removed, the RMSE values for PM3/COSMO and AM1/COSMO drop to 1.0 0.2 and 1.1 0.3, whereas PM3/SMD and AM1/SMD remain at 1.5 0.3 and 1.6 0.3/0.4 pH units, making the COSMO-based predictions statistically better than the SMD-based predictions
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