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Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions
BACKGROUND: With the growing popularity of using QSAR predictions towards regulatory purposes, such predictive models are now required to be strictly validated, an essential feature of which is to have the model’s Applicability Domain (AD) defined clearly. Although in recent years several different...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BioMed Central
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3679843/ https://www.ncbi.nlm.nih.gov/pubmed/23721648 http://dx.doi.org/10.1186/1758-2946-5-27 |