Listar Departamento de Informática y Análisis Numérico por autor "f565bafb-5f09-4e41-9d38-427600a32747"

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    • A New Clustering Algorithm Based on Pattern Extraction in Molecular Fingerprints 

      Palacios Bejarano, Bernardo; Cerruela García, Gonzalo; Luque Ruiz, Irene; García-Pedrajas, Nicolás; Gómez-Nieto, Miguel Ángel (2017-12-11)
      In this paper an algorithm for the extraction of patterns in chemical fingerprints is described. As input this algorithm uses a fingerprint representation of the molecule dataset, generating a group of consistent disjoint ...

    • A Ubiquitous NFC Solution for the Development of Tailored Marketing Strategies Based on Discount Vouchers and Loyalty Cards 

      Borrego Jaraba, Francisco Manuel; Castro Garrido, María del Pilar; Cerruela García, Gonzalo; Luque Ruiz, Irene; Gómez-Nieto, Miguel Ángel (MDPI, 2013)
      Because of the global economic turmoil, nowadays a lot of companies are adopting a “deal of the day” business model, some of them with great success. Generally, they try to attract and retain customers through discount ...

    • Cooperative coevolutionary instance selection for multilabel problems 

      García Pedrajas, Nicolás; Cerruela García, Gonzalo (Elsevier, 2021)
      Multilabel classification as a data mining task has recently attracted greater research interest. Many current data mining applications address problems having instances that belong to more than one class, which requires ...

    • Effective Feature Selection Method for Class-Imbalance Datasets Applied to Chemical Toxicity Prediction 

      Antelo-Collado, Aurelio; Carrasco-Velar, Ramón; García Pedrajas, Nicolás; Cerruela García, Gonzalo (American Chemical Society, 2021)
      During the drug development process, it is common to carry out toxicity tests and adverse effect studies, which are essential to guarantee patient safety and the success of the research. The use of in silico quantitative ...

    • Effects of Molecular Representation in Predicting the Biological Activity using SVM and PLS Approaches 

      Cerruela García, Gonzalo; Luque Ruiz, Irene; García Pedrajas, Nicolás; Gómez-Nieto, Miguel Ángel (2014)
      In this work we study and analyze the behavior of different representational spaces for molecular activity prediction. Representational spaces based on fingerprint similarity, structural similarity using maximum ...

    • Graph-Based Feature Selection Approach for Molecular Activity Prediction 

      Cerruela García, Gonzalo; Cuevas-Muñoz, José Manuel; García Pedrajas, Nicolás (ACS, 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 ...

    • 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 ...

    • SI(FS)2: Fast simultaneous instance and feature selection for datasets with many features 

      García Pedrajas, Nicolás; Romero-del-Castillo, Juan A.; Cerruela García, Gonzalo (Elsevier, 2021)
      Data reduction is becoming increasingly relevant due to the enormous amounts of data that are constantly being produced in many fields of research. Instance selection is one of the most widely used methods for this task. ...

    • SWFAD-IOT: Sistema de Apoyo a la Docencia en un Entorno IoT 

      Cerruela García, Gonzalo; García Pedrajas, Nicolás; Luque Ruiz, Irene; Gómez-Nieto, Miguel Ángel (UCOPress, 2019)
      El presente trabajo muestra el desarrollo e implementación de un sistema de apoyo a la docencia mediante la web física en un entorno del Internet de las Cosas (IoT). El sistema está orientado al desarrollo de actividades ...