Mostrando 3 resultados de: 3
Filtros aplicados
Subtipo de publicación
Article(3)
Publisher
Bioorganic and Medicinal Chemistry Letters(1)
Chemometrics and Intelligent Laboratory Systems(1)
Journal of Computational Chemistry(1)
Área temáticas
Química analítica(3)
Bioquímica(2)
Dibujo técnico, materiales peligrosos(1)
Enfermedades(1)
Farmacología y terapéutica(1)
Área de conocimiento
Bioquímica(2)
Relación cuantitativa estructura-actividad(2)
Ciencias de la computación(1)
Proteína(1)
Computational 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:googlescopusQSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices
ArticleAbstract: The unified representation of spectral moments, classic topologic indices, quadratic indices, and stPalabras claves:Antiviral activity, Carbonucleosides synthesis, Markov models, QSAR, Quadratic Indices, Spectral moments, Topologic indicesAutores:De Clercq E., González‐díaz H., Maykel Cruz-Monteagudo, Santana L., Uriarte E., Viña D.Fuentes:scopusMulti-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues
ArticleAbstract: Chemometrics, that based prediction on the probability of chemical distribution to different systemsPalabras claves:antibacterial compounds, Antimicrobial drugs, complex networks, Markov chains, Partition coefficient, QSPR, Spectral moments, tissue distribution, topological indicesAutores:Agüero-Chapin G., Castañeda-Cancio N., del Río M., González‐díaz H., Maykel Cruz-Monteagudo, Pérez M.A.C., Uriarte E.Fuentes:scopus