Comments on the Definition of the Q2 Parameter for QSAR Validation

  title={Comments on the Definition of the Q2 Parameter for QSAR Validation},
  author={Viviana Consonni and Davide Ballabio and Roberto Todeschini},
  journal={Journal of chemical information and modeling},
  volume={49 7},
This paper deals with the problem of evaluating the predictive ability of QSAR models and continues the discussion about proper estimates of the predictive ability from an external evaluation set reported in Schüürmann G., Ebert R.-U., et al. External Validation and Prediction Employing the Predictive Squared Correlation Coefficient--Test Set Activity Mean vs Training Set Activity Mean. J. Chem. Inf. Model. 2008, 48, 2140-2145 . The two formulas for calculating the predictive squared… CONTINUE READING
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