Table 3. Structure-Activity Relationships models: statistics.


 Characteristic (abbreviation)

SAR model

Eq(1)

Eq(2)

 Correlation coefficient (r)

0.9472

0.9868

 Squared correlation coefficient (r2)

0.8972

0.9737

 Adjusted squared correlation coefficient (r2adj)

0.8896

0.9695

 Standard error of estimated (sest)

0.2355

0.1238

 Fisher parameter of estimated (Fest)

118

231

 Type I error associated with the Fisher parameter of estimated (pest)

4.56·10-14

1.50·10-21

 Leave-one-out cross-validation score (r2loo-cv)

0.8745

0.9650

 Fisher parameter of predicted (Fpred)

93

172

 Fisher probability of predicted (ppred)

7.58·10-13

9.34 10-20

 Standard error of predict (sloo)

0.2613

0.1429

 Difference between squared correlation coefficient and leave-one-out cross-
 validation score (r2 - r2loo-cv)

0.0227

0.0086

 

 

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