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Efficiency of different measures for defining the applicability domain of classification models

The goal of defining an applicability domain for a predictive classification model is to identify the region in chemical space where the model’s predictions are reliable. The boundary of the applicability domain is defined with the help of a measure that shall reflect the reliability of an individua...

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Detalles Bibliográficos
Autores principales: Klingspohn, Waldemar, Mathea, Miriam, ter Laak, Antonius, Heinrich, Nikolaus, Baumann, Knut
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5543028/
https://www.ncbi.nlm.nih.gov/pubmed/29086213
http://dx.doi.org/10.1186/s13321-017-0230-2