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Table 1 Summary of model statistics for the case study

From: Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions

Model Training set Test set
  n TR R 2 RMSE n TS Q 2 RMSEP
CAESAR Model 2 378 0.804 0.591 95 0.797 0.600
  1. R2 Determination coefficient; RMSE Root-mean-square error; Q2 Predictive squared correlation coefficient; and RMSEP Root-mean-square error of prediction.
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