Search results for: J. A. Luque

Authors: Irene Luque Ruiz, Manuel Urbano Cuadrado, Miguel Ángel Gómez-Nieto

Abstract:

New graph similarity methods have been proposed in this work with the aim to refining the chemical information extracted from molecules matching. For this purpose, data fusion of the isomorphic and nonisomorphic subgraphs into a new similarity measure, the Approximate Similarity, was carried out by several approaches. The application of the proposed method to the development of quantitative structure-activity relationships (QSAR) has provided reliable tools for predicting several pharmacological parameters: binding of steroids to the globulin-corticosteroid receptor, the activity of benzodiazepine receptor compounds, and the blood brain barrier permeability. Acceptable results were obtained for the models presented here.

Keywords: Graph similarity, Nonisomorphic dissimilarity, Approximate similarity, Drug activity prediction.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1610

Authors: Irene Luque Ruiz, Manuel Urbano Cuadrado, Miguel Ángel Gómez-Nieto

Abstract:

In this paper we study different similarity based approaches for the development of QSAR model devoted to the prediction of activity of antiobesity drugs. Classical similarity approaches are compared regarding to dissimilarity models based on the consideration of the calculation of Euclidean distances between the nonisomorphic fragments extracted in the matching process. Combining the classical similarity and dissimilarity approaches into a new similarity measure, the Approximate Similarity was also studied, and better results were obtained. The application of the proposed method to the development of quantitative structure-activity relationships (QSAR) has provided reliable tools for predicting of inhibitory activity of drugs. Acceptable results were obtained for the models presented here.

Keywords: Graph similarity, Nonisomorphic dissimilarity, Approximate similarity, Drugs activity prediction.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1504

Authors: M. Cuevas-González, O. Monserrat, A. Barra, C. Reyes-Carmona, R. M. Mateos, J. P. Galve, R. Sarro, M. Cantalejo, E. Peña, M. Martínez-Corbella, J. A. Luque, J. M. Azañón, A. Millares, M. Béjar, J. A. Navarro, L. Solari

Abstract:

Geohazard prone areas require continuous monitoring to detect risks, understand the phenomena occurring in those regions and prevent disasters. Satellite interferometry (InSAR) has come to be a trustworthy technique for ground movement detection and monitoring in the last few years. InSAR based techniques allow to process large areas providing high number of displacement measurements at low cost. However, the results provided by such techniques are usually not easy to interpret by non-experienced users hampering its use for decision makers. This work presents a set of tools developed in the framework of different projects (Momit, Safety, U-Geohaz, Riskcoast) and an example of their use in the Granada Coastal area (Spain) is shown. The ADA (Active Displacement Areas) tool has been developed with the aim of easing the management, use and interpretation of InSAR based results. It provides a semi-automatic extraction of the most significant ADAs through the application ADAFinder tool. This tool aims to support the exploitation of the European Ground Motion Service (EU-GMS), which will offer reliable and systematic information on natural and anthropogenic ground motion phenomena across Europe.

Keywords: Ground displacements, InSAR, natural hazards, satellite imagery.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 339