Search Results - "Gironés, X."

Estimation of infinite dilution activity coefficients of organic compounds in water with neural classifiers by Giralt, Francesc, Espinosa, G., Arenas, A., Ferre-Gine, J., Amat, L., Gironés, X., Carbó-Dorca, R., Cohen, Y.

“…A new approach is presented for the development of quantitative structure–property relations (QSPR) based on the extraction of relevant molecular features with…”
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On the Nature of C−Li Bonding in Lithiated Hydrocarbons and Lithiocarbons by Ponec, R, Roithová, J, Gironés, X, Lain, L, Torre, A, Bochicchio, R

“…The nature of C−Li bonding in CH 3 Li and CLi6 was reconsidered using two recently proposed new methodologies, namely the AIM generalized population analysis…”
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Oxidative stress in Alzheimer's disease hippocampus: A topographical study by Cruz-Sánchez, F.F, Gironès, X, Ortega, A, Alameda, F, Lafuente, J.V

“…Abstract Advanced glycation end-products (AGEs) and their receptor (RAGE) are molecules related to oxidative stress demonstrated in aging and in several…”
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Progressive multifocal leukoencephalopathy--incidental finding in the forensic neuropathological examination by Lucena, J, Gironés, X, Rico, A, Santos, M, Blanco, M, Marin, R, Barrero, E, Cruz-Sánchez, F F

“…Progressive Multifocal Leukoencephalopathy (PML) is a fatal demyelinating disease of the central nervous system (CNS) caused by the human virus JC (JCV), a…”
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Mild hypercholesterolemia is an early risk factor for the development of Alzheimer amyloid pathology by PAPPOLLA, M. A, BRYANT-THOMAS, WOLOZIN, B, SANO, M, CRUZ-SANCHEZ, F. F, THAL, L. J, PETANCESKA, S. S, REFOLO, L. M, HERBERT, D, PACHECO, J, GARCIA, M. Fabra, MANJON, M, GIRONES, X, HENRY, T. L, MATSUBARA, E, ZAMBON, D

“…Epidemiologic and experimental data suggest that cholesterol may play a role in the pathogenesis of AD. Modulation of cholesterolemia in transgenic animal…”
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Structure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity by Gallegos, A, Robert, D, Gironés, X, Carbó-Dorca, R

“…The establishment of quantitative structure-activity relationship (QSAR) models for the toxicity of polycylic aromatic hydrocarbons (PAHs) is described. Two…”
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Application of promolecular asa densities to graphical representation of density functions of macromolecular systems by Gironés, X., Carbó-Dorca, R., Mezey, P.G.

“…In this article we report the application of the Promolecular Atomic Shell Approximation (Promolecular ASA) to the graphical representation of the density…”
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Using Molecular Quantum Similarity Measures as Descriptors in Quantitative Structure-Toxicity Relationships by Gironés, X., Amat, L., Carbó-Dorca, R.

“…In this paper molecular quantum similarity measures (MQSM) are used to describe molecular toxicity and to construct Quantitative Structure-Toxicity…”
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Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets J. Chem. Inf. Comput. Sci. 42, 1185−1193 (2002) by Gironés, X, Carbó-Dorca, R

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FP55-FR-03 Pain, depression and cognitive impairment (CI) in patients with fibromyalgia (FM) by Virumbrales, M, Girones, X, Almeida-Silva de, M.A, Felix, F, Cruz-Sánchez, F.F

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FP55-FR-01 Pain and muscular response using surface electromyography (sEMG) in patients suffering from fibromyalgia (FM) by Almeida-Silva de, M.A, Félix, F, Virumbrales, M, Girones, X, Cruz-Sánchez, F

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PO30-FR-05 Pain and some clinical and socio-demographic traits in patients suffering from fibromyalgia (FM) by Girones, X, Virumbrales, M, Félix, F, Almeida-Silva de, M.A, Cruz-Sánchez, F.F

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Antimalarial activity of synthetic 1,2,4-trioxanes and cyclic peroxy ketals, a quantum similarity study by Gironés, X, Gallegos, A, Carbó-Dorca, R

“…In this work, the antimalarial activity of two series of 20 and 7 synthetic 1,2,4-trioxanes and a set of 20 cyclic peroxy ketals are tested for correlation…”
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Cognitive Profile and Cardiovascular Risk Factors in Older Adults with Mild Cognitive Impairment by Vázquez-de Sebastián, Julia, Ortiz-Zuñiga, Angel M, Ciudin, Andreea, Ars, Joan, Inzitari, Marco, Simó, Rafael, Hernández, Cristina, Ariño-Blasco, Sergio, Barahona, María José, Franco, Maite, Gironès, Xavier, Crespo-Maraver, María Cruz, Rovira, Joan Carles, Castellano-Tejedor, Carmina, The Dialcat Consortium

“…The prevalence of cardiovascular risk factors (CVRFs) in the older adults population and their specific impact on their cognitive profiles still requires…”
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Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies by Gironés, X, Amat, L, Robert, D, Carbó-Dorca, R

“…Electron-electron repulsion energy () is presented as a new molecular descriptor to be employed in QSAR and QSPR studies. Here it is shown that this electronic…”
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Modeling Antimalarial Activity:  Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR by Gironés, Xavier, Gallegos, Ana, Carbó-Dorca, Ramon

“…In this work, is studied the application, within a quantum similarity framework, of the recently described Kinetic Energy Density Function in the evaluation of…”
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Facet diagrams for quantum similarity data by Robert, D, Gironés, X, Carbó-Dorca, R

“…The objective of this work is to demonstrate that an appropriate treatment of quantum similarity matrices can reveal hidden data grouping related to relevant…”
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A comparative study of isodensity surfaces using ab initio and ASA density functions by Gironés, Xavier, Amat, Lluı́s, Carbó-Dorca, Ramon

“…In this article, we report a visual comparison between several of the available methods for constructing electronic density functions. The density forms…”
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Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity:  A Molecular Quantum Similarity Study by Robert, David, Gironés, Xavier, Carbó-Dorca, Ramon

“…Controlled modifications in certain protein amino acid residues can lead to changes in their function and stability. Amino acid structural features and their…”
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Supervised texture segmentation through a multi-level pixel-based classifier based on specifically designed filters by Melendez, J., Girones, X., Puig, D.

“…This paper presents a new, efficient technique for supervised texture segmentation based on a set of specifically designed filters and a multi-level…”
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