Rakhimbekova A.; Akhmetshin T.N.; Minibaeva G.I.; Nugmanov R.I.; Gimadiev T.R.; Madzhidov T.I.; Baskin I.I.; Varnek A.
(2021)
In this article, we consider cross-validation of the quantitative structure-property relationship models for reactions and show that the conventional k-fold cross-validation (CV) procedure gives an ‘optimistically’ biased ...