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Large-scale ligand-based predictive modelling using support vector machines

The increasing size of datasets in drug discovery makes it challenging to build robust and accurate predictive models within a reasonable amount of time. In order to investigate the effect of dataset sizes on predictive performance and modelling time, ligand-based regression models were trained on o...

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Detalles Bibliográficos
Autores principales: Alvarsson, Jonathan, Lampa, Samuel, Schaal, Wesley, Andersson, Claes, Wikberg, Jarl E. S., Spjuth, Ola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4980776/
https://www.ncbi.nlm.nih.gov/pubmed/27516811
http://dx.doi.org/10.1186/s13321-016-0151-5