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. 2019 Apr 23;4(4):7354–7368. doi: 10.1021/acsomega.8b03689

Table 5. MSE and RMSE Values (in kcal mol–1) between the Set of Expected EHB Values and Set of Predicted EHB Values from Different Single Parameter and Multiparameter Modelsa.

  MSE
RMSE
parameter weak strong all weak strong all
ρ 0.32 0.33 0.33 0.56 0.58 0.58
2ρ 0.59 0.63 0.62 0.77 0.79 0.79
E(2) 0.20 0.25 0.23 0.45 0.50 0.49
H–A 0.44 0.49 0.47 0.66 0.7 0.69
D–H 0.17 0.16 0.17 0.41 0.4 0.41
3-P model 0.54 0.20 0.30 0.74 0.45 0.55
5-P model 0.12 0.07 0.09 0.34 0.28 0.30
a

“Weak” and “strong” correspond to H-bonds with EHB < 4 and 15 kcal mol–1EHB ≥ 4 kcal mol–1, respectively.