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...

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Detalles Bibliográficos
Autores principales: Sahigara, Faizan, Ballabio, Davide, Todeschini, Roberto, Consonni, Viviana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2013
Materias:
Research Article
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

Internet

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

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