Mostrando 5 resultados de: 5
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Área temáticas
Farmacología y terapéutica(3)
Química analítica(2)
Biología(1)
Bioquímica(1)
Ciencias de la computación(1)
Año de Publicación
2014(5)
Origen
scopus(5)
Chemoinformatics in metabolomics, from molecular mechanics, dynamics, and docking to complex metabolic networks, part 2
OtherAbstract:Palabras claves:Autores:Alejandro Speck-Planche, González‐díaz H., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusChemoinformatics in metabolomics, modeling chemical reactivity and admet processes part 1
OtherAbstract:Palabras claves:Autores:Alejandro Speck-Planche, González‐díaz H., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusMatrix trace operators: From spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes
ArticleAbstract: The study of quantitative structure-property relationships (QSPR) is important to study complex netwPalabras claves:Carbolithiations, Complex network, Drug ADME process, Markov chain, Organic synthesis, QSPR/QSAR model, Self-aggregation of drug micelle nanoparticles, Spectral moments and perturbation theoryAutores:Alejandro Speck-Planche, Arrasate S., González‐díaz H., Juan A.G.S., Lete E., Luan F., Natalia Dias Soeiro Cordeiro M., Ruso J.M., Sotomayor N.Fuentes:scopusQSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets
ReviewAbstract: The immune system helps to halt the infections caused by pathogenic microbial and parasitic agents.Palabras claves:CD19 lymphocytes, CHEMBL, complex networks, Drug immunotoxicity, Flow cytometry, Markov chains, perturbation theory, Spectral momentsAutores:Alejandro Speck-Planche, González‐díaz H., Luan F., Natalia Dias Soeiro Cordeiro M., Ramirez F.R., Tenorio-Borroto E.Fuentes:scopusReview of current chemoinformatic tools for modeling important aspects of cypsmediated drug metabolism. integrating metabolism data with other biological profiles to enhance drug discovery
ReviewAbstract: The study of the metabolism of xenobiotics by the human body is an essential stage in the complex anPalabras claves:Chemoinformatic tools, Cytochrome p450, drug metabolism, linear discriminant analysis, Mtk-QSBER, Quadratic Indices, SOM, Support Vector MachineAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopus