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Table 6 Statistical indexes of CoMFA and CoMSIA models

From: Isolation, bioassay and 3D-QSAR analysis of 8-isopentenyl flavonoids from Epimedium sagittatum maxim. as PDE5A inhibitors

 

Cross-validated

Conventional

q2

Optimal comp

r2

SEE

F value

CoMFA

0.578

4

0.998

0.066

1188.764

CoMSIA

0.505

7

0.999

0.042

1663.960

Field distribution (%)

 

CoMFA

CoMSIA

 Steric

49.3

21.6

 Electrostatic

50.7

 

 Hydrophobic

 

39.3

 H-bondacceptor

 

39.1

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Chinese Medicine

ISSN: 1749-8546

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