Search Results - "Romero Zaldivar, Vicente"
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1
Monitoring student progress using virtual appliances: A case study
Published in Computers and education (01-05-2012)“…The interactions that students have with each other, with the instructors, and with educational resources are valuable indicators of the effectiveness of a…”
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2
Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification
Published in Journal of computational chemistry (30-11-2008)“…The recently introduced non-stochastic and stochastic bond-based linear indices are been generalized to codify chemical structure information for chiral drugs,…”
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3
Atom, atom-type, and total linear indices of the "molecular pseudograph's atom adjacency matrix": application to QSPR/QSAR studies of organic compounds
Published in Molecules (Basel, Switzerland) (31-12-2004)“…In this paper we describe the application in QSPR/QSAR studies of a new group of molecular descriptors: atom, atom-type and total linear indices of the…”
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4
Novel 2D TOMOCOMD-CARDD molecular descriptors: atom-based stochastic and non-stochastic bilinear indices and their QSPR applications
Published in Journal of mathematical chemistry (01-10-2008)“…Novel atom-based molecular descriptors (MDs) based on a bilinear map similar to use defined in linear algebra are presented. These MDs, called “ local ( atom,…”
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5
Protein quadratic indices of the "macromolecular pseudograph's alpha-carbon atom adjacency matrix". 1. Prediction of Arc repressor alanine-mutant's stability
Published in Molecules (Basel, Switzerland) (31-12-2004)“…This report describes a new set of macromolecular descriptors of relevance to protein QSAR/QSPR studies, protein's quadratic indices. These descriptors are…”
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6
Bond-based linear indices of the non-stochastic and stochastic edge-adjacency matrix. 1. Theory and modeling of ChemPhys properties of organic molecules
Published in Molecular diversity (01-11-2010)“…Novel bond-level molecular descriptors are proposed, based on linear maps similar to the ones defined in algebra theory. The kth edge-adjacency matrix (E k )…”
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7
3D-Chiral quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’ and their application to central chirality codification: classification of ACE inhibitors and prediction of σ-receptor antagonist activities
Published in Bioorganic & medicinal chemistry (15-10-2004)“…[Display omitted] Quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’ have been generalized to codify chemical structure information for…”
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8
YADBrowser: A Browser for Web-Based Educational Applications
Published in Journal of educational multimedia and hypermedia (22-06-2005)“…In this article, the main characteristics of the educational browser YADBrowser are described. One of the main objectives of this project is to define new…”
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9
Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity
Published in Bioorganic & medicinal chemistry (15-04-2005)“…[Display omitted] The TOpological MOlecular COMputer Design ( TOMOCOMD–CARDD) approach has been introduced for the classification and design of antimicrobial…”
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10
Protein linear indices of the ‘macromolecular pseudograph α-carbon atom adjacency matrix’ in bioinformatics. Part 1: Prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor
Published in Bioorganic & medicinal chemistry (15-04-2005)“…[Display omitted] A novel approach to bio-macromolecular design from a linear algebra point of view is introduced. A protein’s total (whole protein) and local…”
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11
A new topological descriptors based model for predicting intestinal epithelial transport of drugs in Caco-2 cell culture
Published in Journal of pharmacy & pharmaceutical sciences (29-06-2004)“…Quantitative Structure-Permeability Relationships (QSPerR) of the intestinal permeability across the (Caco-2) cells monolayer could be obtained by the…”
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12
Non-stochastic and stochastic linear indices of the molecular pseudograph's atom-adjacency matrix: a novel approach for computational in silico screening and "rational" selection of new lead antibacterial agents
Published in Journal of molecular modeling (01-02-2006)“…A novel approach (TOMOCOMD-CARDD) to computer-aided "rational" drug design is illustrated. This approach is based on the calculation of the non-stochastic and…”
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13
Nucleic Acid Quadratic Indices of the “Macromolecular Graph’s Nucleotides Adjacency Matrix”. Modeling of Footprints after the Interaction of Paromomycin with the HIV-1 Ψ-RNA Packaging Region
Published in International journal of molecular sciences (30-11-2004)“…This report describes a new set of macromolecular descriptors of relevance to nucleic acid QSAR/QSPR studies, nucleic acids’ quadratic indices. These…”
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14
Total and Local Quadratic Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”. Application to Prediction of Caco-2 Permeability of Drugs
Published in International journal of molecular sciences (01-08-2003)“…The high interest in the prediction of the intestinal absorption for New Chemical Entities (NCEs) is generated by the increasing rate in the synthesis of…”
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15
Atom, Atom-Type, and Total Linear Indices of the “Molecular Pseudograph’s Atom Adjacency Matrixâ€Â: Application to QSPR/QSAR Studies of Organic Compounds
Published in Molecules (Basel, Switzerland) (01-12-2004)“…In this paper we describe the application in QSPR/QSAR studies of a newgroup of molecular descriptors: atom, atom-type and total linear indices of the…”
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16
Nucleic Acid Quadratic Indices of the "Macromolecular Graph's Nucleotides Adjacency Matrix". Modeling of Footprints after the Interaction of Paromomycin with the HIV-1 [Psi]-RNA Packaging Region
Published in International journal of molecular sciences (01-11-2004)“…This report describes a new set of macromolecular descriptors of relevance to nucleic acid QSAR/QSPR studies, nucleic acids' quadratic indices. These…”
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17
Total and Local Quadratic Indices of the “Molecular Pseudograph’s Atom Adjacency Matrixâ€Â. Application to Prediction of Caco-2 Permeability of Drugs
Published in International journal of molecular sciences (01-08-2003)“…The high interest in the prediction of the intestinal absorption for New Chemical Entities (NCEs) is generated by the increasing rate in the synthesis of…”
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Journal Article -
18
Protein Quadratic Indices of the “Macromolecular Pseudograph’s α-Carbon Atom Adjacency Matrixâ€Â. 1. Prediction of Arc Repressor Alanine-mutant’s Stability
Published in Molecules (Basel, Switzerland) (01-12-2004)“…This report describes a new set of macromolecular descriptors of relevance toprotein QSAR/QSPR studies, protein’s quadratic indices. These descriptors are…”
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Journal Article -
19
Nucleic Acid Quadratic Indices of the “Macromolecular Graph’s Nucleotides Adjacency Matrixâ€Â. Modeling of Footprints after the Interaction of Paromomycin with the HIV-1 Ψ-RNA Packaging Region
Published in International journal of molecular sciences (01-11-2004)“…This report describes a new set of macromolecular descriptors of relevance to nucleic acid QSAR/QSPR studies, nucleic acids’ quadratic indices. These…”
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Journal Article -
20
Protein Quadratic Indices of the "Macromolecular Pseudograph's [alpha]-Carbon Atom Adjacency Matrix". 1. Prediction of Arc Repressor Alanine-mutant's Stability
Published in Molecules (Basel, Switzerland) (01-12-2004)“…This report describes a new set of macromolecular descriptors of relevance toprotein QSAR/QSPR studies, protein's quadratic indices. These descriptors are…”
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