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Graph-Based Feature Selection Approach for Molecular Activity Prediction

[Image: see text] In the construction of QSAR models for the prediction of molecular activity, feature selection is a common task aimed at improving the results and understanding of the problem. The selection of features allows elimination of irrelevant and redundant features, reduces the effect of...

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Detalles Bibliográficos
Autores principales: Cerruela-García, Gonzalo, Cuevas-Muñoz, José Manuel, García-Pedrajas, Nicolás
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9006223/
https://www.ncbi.nlm.nih.gov/pubmed/35315648
http://dx.doi.org/10.1021/acs.jcim.1c01578