ListarDepartamento de Informática y Análisis Numérico por tema "Molecular activity"

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    • Graph-Based Feature Selection Approach for Molecular Activity Prediction 

      Cerruela García, Gonzalo; Cuevas-Muñoz, José Manuel; García Pedrajas, Nicolás (American Chemical Society, 2022)
      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 ...