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On Two Novel Parameters for Validation of Predictive QSAR Models
Validation is a crucial aspect of quantitative structure–activity relationship (QSAR) modeling. The present paper shows that traditionally used validation parameters (leave-one-out Q(2) for internal validation and predictive R(2) for external validation) may be supplemented with two novel parameters...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Molecular Diversity Preservation International
2009
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6254296/ https://www.ncbi.nlm.nih.gov/pubmed/19471190 http://dx.doi.org/10.3390/molecules14051660 |