Exploration of Drug Science

From: Rational design of novel phenol ether derivatives as non-covalent proteasome inhibitors through 3D-QSAR, molecular docking and ADMET prediction

Table 2

Statistical results of optimal CoMFA and CoMSIA models

Parameters	Threshold value	CoMFA-SE	CoMSIA-SEHA
Q² (cross-validate)	> 0.5	0.574	0.584
r²	> 0.6	0.999	0.989
SEE	-	0.026	0.077
F	-	1,084.404	172.183
ONC	-	10	7
r²_pred	> 0.6	0.755	0.921
R²	> 0.6	0.684	0.897
K	0.85 ≤ K ≤ 1.15	0.996	1.005
$R_{0}^{2}$	Close to value of r²	0.998	0.996
(R² - $R_{0}^{2}$ )/R²	< 0.1	–0.459	–0.110
$R_{m}^{2}$	> 0.5	0.559	0.614
Field contribution (%)	-	-	-
S	-	47.1	12.6
E	-	52.9	35.2
H	-	-	27.6
HA	-	-	24.5

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