A carregar...

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...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:IUCrJ
Main Authors: Krause, Lennard, Niepötter, Benedikt, Schürmann, Christian J., Stalke, Dietmar, Herbst-Irmer, Regine
Formato: Artigo
Idioma:Inglês
Publicado em: International Union of Crystallography 2017
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
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!