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Evaluating parameters for ligand-based modeling with random forest on sparse data sets

Ligand-based predictive modeling is widely used to generate predictive models aiding decision making in e.g. drug discovery projects. With growing data sets and requirements on low modeling time comes the necessity to analyze data sets efficiently to support rapid and robust modeling. In this study...

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Detalles Bibliográficos
Autores principales: Kensert, Alexander, Alvarsson, Jonathan, Norinder, Ulf, Spjuth, Ola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755600/
https://www.ncbi.nlm.nih.gov/pubmed/30306349
http://dx.doi.org/10.1186/s13321-018-0304-9