Irene Luque Ruiz

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In this paper we propose a new algorithm for subgraph isomorphism based on the representation of molecular structures as colored graphs and the representation of these graphs as vectors in n-dimensional spaces. The presented process that obtains all maximum common substructures is based on the solution of a constraint satisfaction problem defined as the(More)
In this paper we propose a new method based on measurements of the structural similarity for the clustering of chemical databases. The proposed method allows the dynamic adjustment of the size and number of cells or clusters in which the database is classified. Classification is carried out using measurements of structural similarity obtained from the(More)
— The improvement on the QSAR prediction of the trans-stilbenes affinity for the β-amyloid peptide (employed for detecting the Alzheimer disease) achieved by means of using approximate similarity measurement is presented in this work. A wide spectrum of similarity methods is described, and results obtained by approximate similarity are compared with those(More)
A QSAR model for predicting the blood brain barrier permeability (BBBP) in a large and heterogeneous variety of compounds (136 compounds) has been developed using approximate similarity (AS) matrices as predictors and PLS as multivariate regression technique. AS values fuse information of both the isomorphic similarity and nonisomorphic dissimilarity with(More)
Society is changing and technological advances provide mechanisms to facilitate the development of a large number of tasks in technical, humanities, health and social areas. Nowadays, application of the improvement of people’s quality of life is generating significant interest, giving birth to systems oriented to the supervision, care and help for people in(More)
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 coupons and gift cards, using, generally, traditional distribution media. This paper describes a framework, which integrates intelligent(More)