I'm also trying to use the kennard-stone algorithm in the soil.spec package
for my dataset,
(to generate a training and test set from the data, based on this algorithm,
because it's the
most commonly used and well-performing algorithm in QSAR studies) but it's
generating an error:
Hello,
I'm also working on a QSAR validation, and would like to confirm that my
multiple least squares regression based on only 4 x-variables out of a pool
of 300 x-variables is significant. I want to apply the y-randomization or
y-scrambling permutation protocol using R, but I have not been able
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