Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methods

BACKGROUND: The design of QSAR/QSPR models is a challenging problem, where the selection of the most relevant descriptors constitutes a key step of the process. Several feature selection methods that address this step are concentrated on statistical associations among descriptors and target properti...

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Detalles Bibliográficos
Autores principales: Martínez, María Jimena, Ponzoni, Ignacio, Díaz, Mónica F, Vazquez, Gustavo E, Soto, Axel J
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2015
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4540751/
https://www.ncbi.nlm.nih.gov/pubmed/26300983
http://dx.doi.org/10.1186/s13321-015-0092-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4540751/
https://www.ncbi.nlm.nih.gov/pubmed/26300983
http://dx.doi.org/10.1186/s13321-015-0092-4

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