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The external prediction capability of quantitative structureactivity relationship (QSAR) models is often quantified using the predictive squared correlation coefficient. This value can be calculated with an external data set or by cross validation.
Package details 


Author  Torsten Thalheim 
Maintainer  Torsten Thalheim <[email protected]> 
License  GPL3 
Version  1.2.0 
Package repository  View on CRAN 
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