External Validation and Prediction Employing the Predictive Squared Correlation Coefficient — Test Set Activity Mean vs Training Set Activity Mean

Journal of Chemical Information and Modeling - Tập 48 Số 11 - Trang 2140-2145 - 2008
Gerrit Schüürmann1, Ralf‐Uwe Ebert1, Jingwen Chen1, Bin Wang1, Ralph Kühne1
1Department of Ecological Chemistry, UFZ Helmholtz Centre for Environmental Research, Permoserstrasse 15, 04318 Leipzig, Germany, Institute for Organic Chemistry, Technical University Bergakademie Freiberg, Leipziger Strasse 29, 09596 Freiberg, Germany, and Key Laboratory of Industrial Ecology and Environmental Engineering (MOE), Department of Environmental Science and Technology, Dalian University of Technology, Linggong Road 2, Dalian 116024, China

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