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The effect of noise on the predictive limit of QSAR models

A key challenge in the field of Quantitative Structure Activity Relationships (QSAR) is how to effectively treat experimental error in the training and evaluation of computational models. It is often assumed in the field of QSAR that models cannot produce predictions which are more accurate than the...

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Detalles Bibliográficos
Autores principales: Kolmar, Scott S., Grulke, Christopher M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8613965/
https://www.ncbi.nlm.nih.gov/pubmed/34823605
http://dx.doi.org/10.1186/s13321-021-00571-7