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Beware of R(2): simple, unambiguous assessment of the prediction accuracy of QSAR and QSPR models
The statistical metrics used to characterize the external predictivity of a model, i.e., how well it predicts the properties of an independent test set, have proliferated over the past decade. This paper clarifies some apparent confusion over the use of the coefficient of determination, R(2), as a m...
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| Publicado no: | J Chem Inf Model |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4530125/ https://ncbi.nlm.nih.gov/pubmed/26099013 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.5b00206 |
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