. 2019 Mar 12;14(3):e0213217. doi: 10.1371/journal.pone.0213217

Table 2. R², MUE (kcal mol^-1) and slope metrics obtained from the comparison of experimental^a and predicted relative free energies of binding of the whole set.

Protocol	R²	MUE	Slope
A	0.45±0.06	2.11±0.08	0.5
B	0.59±0.04	2.12±0.04	0.5
C	0.55±0.05	1.82±0.06	0.5
D	0.76±0.02	1.24±0.04	0.8

^a An upper bound of R² = 0.96 ± 0.02 on achievable predictions may be estimated given assumed experimental uncertainties of 0.4 kcal.mol^-1

Table 2. R2, MUE (kcal mol-1) and slope metrics obtained from the comparison of experimentala and predicted relative free energies of binding of the whole set.