Statistical results of optimal CoMFA and CoMSIA models

ParametersThreshold valueCoMFA-SECoMSIA-SEHA
Q2 (cross-validate)> 0.50.5740.584
r2> 0.60.9990.989
SEE-0.0260.077
F-1,084.404172.183
ONC-107
r2pred> 0.60.7550.921
R2> 0.60.6840.897
K0.85 ≤ K ≤ 1.150.9961.005
R 02Close to value of r20.9980.996
(R2 - R 02)/R2< 0.1–0.459–0.110
R m2> 0.50.5590.614
Field contribution (%)---
S-47.112.6
E-52.935.2
H--27.6
HA--24.5
-:

not applicable