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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:scopusChemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies
ArticleAbstract: Pbkp_redicting mycobacterial sequences promoter of protein synthesis is important in the study of prPalabras 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:scopusChromosome Gene Orientation Inversion Networks (GOINs) of Plasmodium Proteome
ArticleAbstract: The spatial distribution of genes in chromosomes seems not to be random. For instance, only 10% of gPalabras claves:chromosome microstructure, complex networks, gene orientation, Machine learning, MALARIA, Plasmodium sp. proteomeAutores:Bernabé Ortega-Tenezaca, González‐díaz H., Quevedo‐tumailli V.Fuentes:scopusComplex networks and machine learning: From molecular to social sciences
OtherAbstract: Combining complex networks analysis methods with machine learning (ML) algorithms have become a veryPalabras claves:Biological networks, Clustering, complex networks, Connectome, Ensemble classification, Machine learning, Neural networks, Social and economic networks, Supervised and unsupervised learning, SUPPORT VECTOR MACHINES, Systems biology, TIME SERIESAutores:Duardo-Sanchez A., Fletcher T., González‐díaz H., Maykel Cruz-Monteagudo, Quesada D.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: Pbkp_redicting tissue and environmental distribution of chemicals is of major importance for environPalabras 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:scopusComputational ecotoxicology: Simultaneous pbkp_rediction of ecotoxic effects of nanoparticles under different experimental conditions
ArticleAbstract: Nanotechnology has brought great advances to many fields of modern science. A manifold of applicatioPalabras claves:ecotoxicity, Moving average approach, Nanoparticle, pbkp_rediction, perturbation theory, QSARAutores:Alejandro Speck-Planche, González‐díaz H., Kleandrova V.V., Luan F., Melo A., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusComputational tool for risk assessment of nanomaterials: Novel QSTR-perturbation model for simultaneous pbkp_rediction of ecotoxicity and cytotoxicity of uncoated and coated nanoparticles under multiple experimental conditions
ArticleAbstract: Nanomaterials have revolutionized modern science and technology due to their multiple applications iPalabras claves:Autores:Alejandro Speck-Planche, González‐díaz H., Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusComputer-aided nanotoxicology: Assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach
ArticleAbstract: Nowadays, the interest in the search for new nanomaterials with improved electrical, optical, catalyPalabras claves:Autores:Alejandro Speck-Planche, González‐díaz H., Kleandrova V.V., Luan F., Melo A., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopus