Mostrando 3 resultados de: 3
Subtipo de publicación
Article(3)
Publisher
Bioorganic and Medicinal Chemistry Letters(1)
Journal of Computational Chemistry(1)
Mini-Reviews in Medicinal Chemistry(1)
Área temáticas
Farmacología y terapéutica(2)
Microorganismos, hongos y algas(1)
Química analítica(1)
Química física(1)
Química orgánica(1)
Área de conocimiento
Bioquímica(1)
Ciencias de la computación(1)
Ecología(1)
Farmacología(1)
Química ambiental(1)
Objetivos de Desarrollo Sostenible
ODS 3: Salud y bienestar(3)
ODS 9: Industria, innovación e infraestructura(3)
Origen
scopus(3)
Computational 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:scopusMonoamino oxidase A: An interesting pharmacological target for the development of multi-target QSAR
ArticleAbstract: With the significant increase of life expectancy of populations in societies today, the importance oPalabras claves:drug design, MAO-A inhibitors, Monoamine oxidase, Multi-target model, neurodegenerative diseases, QSARAutores:Alejandro Speck-Planche, Matos M.J., Molina-Pérez E., Orallo F., Santana L., Sobarzo-Sánchez E., Uriarte E., Yáñez M.Fuentes:scopusQSAR 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:scopus