Beware of R2: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models

Author:

Alexander D. L. J.1,Tropsha A.2,Winkler David A.3456

Affiliation:

1. CSIRO Digital Productivity Flagship, Private Bag 10, Clayton South, VIC 3169, Australia

2. UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States

3. CSIRO Manufacturing Flagship, Clayton, VIC 3168, Australia

4. Monash Institute of Pharmaceutical Sciences, Parkville, VIC 3052, Australia

5. Latrobe Institute for Molecular Science, Bundoora, VIC 3046, Australia

6. School of Chemical and Physical Sciences, Flinders University, Bedford Park, SA 5042, Australia

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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