1 Y-Randomization – A Useful Tool in QSAR Validat ion , or Folklore ?

Abstract

Several variants of randomization procedures were compared as a tool in validation of multilinear regression (MLR) QSAR equations that are obtained by descriptor selection. Y-randomization, a method formerly said to be probably the most powerful validation procedure, was found to be overoptimistic. The statistical significance of a new MLR QSAR model should… (More)

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