Roy et al. On Two Novel Parameters for Validation of Predictive QSAR Models. Molecules, 2009, 14, 1660-1701
Drug Theoretics and Cheminformatics Lab, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700 032, India
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Author to whom correspondence should be addressed.
Molecules 2010, 15(1), 604-605; https://doi.org/10.3390/molecules15010604
Submission received: 25 January 2010
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Accepted: 26 January 2010
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Published: 26 January 2010
The authors wish to make the following corrections to this paper [1]:
Abstract: The sentence “The parameter rm2(overall) penalizes a model for large differences between observed and predicted values of the compounds of the whole set (considering both training and test sets) while the parameter Rp2 penalizes model R2 for large differences between determination coefficient of nonrandom model and square of mean correlation coefficient of random models in case of a randomization test.” should read as: The parameter rm2(overall) penalizes a model for large differences between observed and predicted values of the compounds of the whole set (considering both training and test sets) while the parameter Rp2 penalizes model R2 for a small difference between determination coefficient of nonrandom model and square of mean correlation coefficient of random models in case of a randomization test.
Section 2.3.2.4: The sentence “We have used a parameter Rp2 [32] in the present paper, which penalizes the model R2 for the difference between squared mean correlation coefficient (Rr2) of randomized models and squared correlation coefficient (R2) of the non-randomized model.” should read as:
We have used a parameter Rp2 [32] in the present paper, which penalizes the model R2 for a small difference between squared mean correlation coefficient (Rr2) of randomized models and squared correlation coefficient (R2) of the non-randomized model.
Conclusions: The sentence “The parameter Rp2 penalizes model R2 for large differences between determination coefficient of nonrandom model and square of mean correlation coefficient of random models in case of a randomization test and thus confirms whether a model has been obtained by chance or not.” should read as: The parameter Rp2 penalizes model R2 for a small difference between determination coefficient of nonrandom model and square of mean correlation coefficient of random models in case of a randomization test and thus confirms whether a model has been obtained by chance or not.
Reference
- Roy, P.P.; Paul, S.; Mitra, I.; Roy, K. On Two Novel Parameters for Validation of Predictive QSAR Models. Molecules 2009, 14, 1660–1701. [Google Scholar] [CrossRef]
© 2010 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland. This article is an open-access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).
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MDPI and ACS Style
Roy, P.P.; Paul, S.; Mitra, I.; Roy, K. Roy et al. On Two Novel Parameters for Validation of Predictive QSAR Models. Molecules, 2009, 14, 1660-1701. Molecules 2010, 15, 604-605. https://doi.org/10.3390/molecules15010604
AMA Style
Roy PP, Paul S, Mitra I, Roy K. Roy et al. On Two Novel Parameters for Validation of Predictive QSAR Models. Molecules, 2009, 14, 1660-1701. Molecules. 2010; 15(1):604-605. https://doi.org/10.3390/molecules15010604
Chicago/Turabian StyleRoy, Partha Pratim, Somnath Paul, Indrani Mitra, and Kunal Roy. 2010. "Roy et al. On Two Novel Parameters for Validation of Predictive QSAR Models. Molecules, 2009, 14, 1660-1701" Molecules 15, no. 1: 604-605. https://doi.org/10.3390/molecules15010604
