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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2017
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| 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 |