Cross validation Q2

Groups Cheminformatics
1

Hello,

I would like to compare several regression models. I did the crossvalidation and I added a numeric scorer after the end of the cross validation loop. I can see only R2 and a few other values but I cannot find Q2 issued from the cross validation.

Is the model obtained for the last fold of the cross validation or an average of all of them?

Where can I get the Q2 results for the cross validation?

Thanks,

 

2

Hi zizoo,

The computed statistical measures of the Numeric Scorer node are:

  • R²
  • Mean squared error
  • Mean absolute error
  • Root mean squared error
  • Mean signed difference
    Thus, at the moment Q2 is not provided.

Please note also that the statistical measures provided correspond to the last iteration in that case, i.e. the last fold.

Best,
Vincenzo

3

Zizoo, I am also interested in a workflow to calculate R2 and cross validation Q2. Thank you. Jim Metz

4