a 5% to 95% Confidence Intervals and Standard Error estimated using bootstrapping (1000 samples). bMean Absolute Error in kcal/mol. cMAE divided by the Mean Absolute Deviation of Experimental ΔG.
aA Huber estimator using the experimental data provided. bMean Absolute Error in kcal/mol. cMAE divided by the Absolute Average Deviation of Experimental ΔG.
aMaximum Likelihood Estimation using MBAR;
Offset using the mean of the experimental data as a reference.
bValues in kcal/mol.
cNo experimental data provided.
dA Huber estimator using the experimental data provided.
a 5% to 95% Confidence Intervals and Standard Error estimated using bootstrapping (1000 samples). bMean Absolute Error in kcal/mol. cMAE divided by the Mean Absolute Deviation of Experimental ΔΔG.
aA Huber estimator using the experimental data provided. bMean Absolute Error in kcal/mol. cMAE divided by the Absolute Average Deviation of Experimental ΔΔG.
aValues in kcal/mol.
bA Huber estimator using the experimental data provided.
cNo experimental data provided.