Skip to main content

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.
Back to article page

Journal of Cheminformatics

ISSN: 1758-2946

Contact us