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Table 3 Selected optimal cross-validatory chosen models

From: Cross-validation pitfalls when selecting and assessing regression and classification models

Dataset Model Lowest average cross_validation loss Optimal parameter Min grid value Max grid value Grid size
AquaticTox PLS 0.5948 13 1 60 60
AquaticTox Ridge 0.5767 0.05325 0.00107 1069.93 100
bbb2 Ridge 0.1689 0.10494 0.00026 260 100
Caco-PipelinePilotFP Ridge 0.0916 0.008058 0.00025 246 100
Caco-QuickProp Ridge 0.1162 0.0279 0.00021 211 100
MeltingPoint PLS 45.5848 47 1 60 60
MeltingPoint Ridge 45.4370 0.0549 0.02734 27346.2 100
Mutagen Ridge 0.1889 0.003142 0.00017 168 100
PLD Ridge 0.1768 1.02431 0.00021 205.81 100
  1. Summary of selected optimal cross-validatory chosen models from nine examples.