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Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies
ArticleAbstract: Predicting mycobacterial sequences promoter of protein synthesis is important in the study of proteiPalabras claves:entropy, information theory, Machine learning algorithms, Markov models, Mycobacterial promoter sequences, QSAR, RNA secondary structureAutores:González-Díaz Y., González‐díaz H., Maykel Cruz-Monteagudo, Pérez-Bello A., Santana L., Uriarte E.Fuentes:scopusStochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case
ArticleAbstract: The Quantitative Structure-Property Relationships (QSPRs) based on Graph or Network Theory are imporPalabras claves:Biopolymers mixtures, complex networks, QSPRAutores:Borges F., Chou K.C., González‐díaz H., Maykel Cruz-Monteagudo, Munteanu C.R., Natalia Dias Soeiro Cordeiro M., Uriarte E.Fuentes:scopusStudy of a Selected Series of 3- and 4-Arylcoumarins as Antifungal Agents against Dermatophytic Fungi: T. rubrum and T. mentagrophytes
ArticleAbstract: The main etiological agents in dermatophytosis of human skin and nails are Trichophyton, in particulPalabras claves:Antifungal agents, Arylcoumarins, heterocycles, SynthesisAutores:Borges F., Carmen-Lucía López-Cisneros, Guardado E., Maria Elena Cazar Ramirez, Mar�a Elena Cazar, Matos M.J., Natalia Bailon-Moscoso, Uriarte E.Fuentes:googlescopusSynthesis and study of a series of 3-arylcoumarins as potent and selective monoamine oxidase B inhibitors
ArticleAbstract: New series of 6-substituted-3-arylcoumarins displaying several alkyl, hydroxyl, halogen, and alkoxyPalabras claves:Autores:Matos M.J., Santana L., Terán C., Uriarte E., Viña D., Yunierkis Perez-CastilloFuentes:googlescopusChemical and biological analysis of 4-acyloxy-3-nitrocoumarins as trypanocidal agents
ArticleAbstract: Chagas disease is the most widespread contagious tropical disease in Latin America, being an importaPalabras claves:Fukui index, Nitrocoumarins, ROS, TRYPANOSOMA CRUZIAutores:Ana Liempi, Borges F., Francisco Salgado, Josue Santiago Pozo Martínez, Juan D. Maya, Matos M.J., Moncada-Basualto M., Olea-Azar C., Pablo Jaque, Ulrike Kemmerling, Uriarte E.Fuentes:googleorcidscopusDesign of novel antituberculosis compounds using graph-theoretical and substructural approaches
ReviewAbstract: The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldwPalabras claves:Antituberculosis, Discriminant analysis, Fragment contributions, Graph theoretical descriptors, Massive screeningAutores:Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Molina-Pérez E., Pérez E., Scotti M.T., Uriarte E.Fuentes:scopusDesigning novel antitrypanosomal agents from a mixed graph-theoretical substructural approach
ArticleAbstract: Chagas disease is nowadays the most serious parasitic health problem. This disease is caused by TrypPalabras claves:Antitrypanosomal, Discriminant analysis, Fragment contributions, Graph theoretical descriptors, Massive screeningAutores:Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Molina-Pérez E., Pérez E., Scotti M.T., Uriarte E.Fuentes:scopusComputational chemistry comparison of stable/nonstable protein mutants classification models based on 3d and topological indices
ArticleAbstract: In principle, there are different protein structural parameters that can be used in computational chPalabras claves:Protein stability, Protein structure, Spectral moments, topological indicesAutores:González‐díaz H., Podda G., Uriarte E., Yunierkis Perez-CastilloFuentes:googlescopusComputational chemistry development of a unified free energy Markov Model for the distribution of 1300 chemicals to 38 different environmental or biological systems
ArticleAbstract: Predicting tissue and environmental distribution of chemicals is of major importance for environmentPalabras claves:Chem-informatics, Chemicals environmental distribution, Free energy, Markov models, Partition coefficients, quantitative structure-property relationshipsAutores:Agüero-Chapin G., Borges F., Dominguez E.R., González‐díaz H., Maykel Cruz-Monteagudo, Podda G., Santana L., Uriarte E.Fuentes:scopusGrapho-numerical methods of relevance to bioinformatics. Applications in plant biotechnology and drug discovery
ArticleAbstract:Palabras claves:Autores:Alberto López Díaz, Aminael Sánchez-Rodríguez, Antunes A., Bolas-Fernández F., Chou K.C., de la Riva G.A., Dea-Ayuela M.A., Duardo-Sanchez A., Francisco J. Prado-Prado, Giovanna Delogu, Gisselle Pérez Machado, Grace Patlewicz, Guillermin Agüero Chapin, Hidalgo-Yanes P.I., Humberto González Díaz, Javier Varona Santos, Lázaro G. Pérez-Montoto, Maldonado E., Marchal K., Molina-Ruiz R., Morales-Helguera A., Munteanu C.R., Podda G., Santana L., Tomás González-Villa, Ubeira F.M., Uriarte E., Vazquez-Padron R.I., Vitor Vasconselos, Yennny González Díaz, Yunierkis Pérez CastilloFuentes:scopus