Frequently Used Statistical Indices in 3D-QSAR

The cross-validated is also termed because it does not represent a true H from a statistical standpoint. The rationale for a squared q can be associated with PRESS and SD (defined below), but because q can also take negative values, q itself has no meaning. This index, which measures the robustness of the QSAR model,is defined as  

One can apply the same formula to calculate predictive i pred of values. In this case, Yp and Y are derived from the test set. Because the nature of the Yn, values used in the calculation of is not clear,we advise the use of both the external (test) set YfD and the training set when calculating 

A parameter that does not depend on the mean target property, the standard deviation of error of prediction, or SDEP, has been proposed 21 

Defined in a similar fashion, but introducing a penalty for higher component models, are the standard error of prediction, SEP, and the standard error of estimate, SEE  

We have also used the mean absolute error of prediction (MAEP) to estimate the target property prediction error  

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