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Validation of experimental charge-density refinement strategies: when do we overfit?
A cross-validation method is supplied to judge between various strategies in multipole refinement procedures. Its application enables straightforward detection of whether the refinement of additional parameters leads to an improvement in the model or an overfitting of the given data. For all tested...
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| Publicado no: | IUCrJ |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
International Union of Crystallography
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5571805/ https://ncbi.nlm.nih.gov/pubmed/28875029 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052252517005103 |
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