Traing/validation statistics issues in Instant-JCHEM

User 677b9c22ff

24-06-2011 01:03:51


regarding the new traing/validation setup (very nice, very useful feature) I have few comments


for the cross-validation training set it should show the n-fold or v-fold number of cross-validations.

That makes a huge difference, in principle free selection should be possible


for the final statistic it should show the -fold CV number plus the number of total compounds


Also in terms of usability, Instant-JChem could allow a direct split of one dataset, for example 70% train and

30 test, this could be a numeric field with a select button. So instead of import and export and import of one

dataset, the whole procedure could be done from one large dataset.



ChemAxon e08c317633

24-06-2011 12:46:28

Hi Tobias,

Thanks for the suggestions, we will consider them and get back to you.