Liverpool John Moores University, Chemoinformatics Research Group (England)
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Browsing Liverpool John Moores University, Chemoinformatics Research Group (England) by Title "The Better Predictive Model: High q2 for the Training Set or Low Root Mean Square Error of Prediction for the Test Set?"

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Browsing Liverpool John Moores University, Chemoinformatics Research Group (England) by Title "The Better Predictive Model: High q2 for the Training Set or Low Root Mean Square Error of Prediction for the Test Set?"

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Aptula, A.O.; Jeliazkova, N.G.; Schultz, T.W.; Cronin, M.T.D. The Better Predictive Model: High q2 for the Training Set or Low Root Mean Square Error of Prediction for the Test Set?. QSAR Comb. Sci. 2005, 24, 3, 385–396.

Published: Villu Ruusmann (2012-05-23)

Abstract: The process of validation of computational models (e.g., QSARs) may become the most important step in their development. Different requirements for the reliability and predictability of QSAR models have been described in the literature. Despite these formal recommendations there are few practical rules as to when to cease adding variables to a QSAR (i.e., what ...

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