Mostrando 6 resultados de: 6
Filtros aplicados
Publisher
Journal of Steroid Biochemistry and Molecular Biology(2)
Afinidad(1)
Anales de la Real Academia Nacional de Farmacia(1)
Canadian Journal of Physiology and Pharmacology(1)
Journal of Computational Chemistry(1)
Área temáticas
Bioquímica(2)
Fisiología humana(2)
Ciencias de la computación(1)
Medicina y salud(1)
Programación informática, programas, datos, seguridad(1)
Comparison of novelproximity models in Chemoinformatics
ArticleAbstract: This work comprises the computational implementation in the Java environment of 21 proximity modelsPalabras claves:Machine-learning descriptor selection, Medicinal chemistry data set, Proximity model, Similarity searchingAutores:Del Corazón Grau Ábalo R., Díaz Y.H., García-De La Vega J.M., Rivera-Borroto O.M., Yovani Marrero-PonceFuentes:scopusAnabolic and androgenic activities of 19-nor-testosterone steroids: QSAR study using quantum and physicochemical molecular descriptors
ArticleAbstract: Quantitative structure-activity relationship (QSAR) study of 19-nor-testosterone steroids family wasPalabras claves:Anabolic activity, Androgenic activity, Physicochemical molecular descriptor, Quantitative Structure-Activity Relationship, Quantum molecular descriptor, Testosterone family and cluster analysisAutores:Alvarez-Ginarte Y.M., García-De La Vega J.M., Montero-Cabrera L.A., Noheda-Marin P., Ruíz-García J.A., Yovani Marrero-PonceFuentes:googlescopusApplying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids
ArticleAbstract: The great cost associated with the development of new anabolic-androgenic steroid (AASs) makes necesPalabras claves:Anabolic-androgenic ratio, Anabolic-androgenic steroid, LDA-assisted QSAR model, Quantum and physicochemical molecular descriptor, Virtual ScreeningAutores:Alvarez-Ginarte Y.M., Crespo-Otero R., García-De La Vega J.M., García-Domenech R., Montero-Cabrera L.A., Noheda-Marin P., Ruíz-García J.A., Yovani Marrero-Ponce, Zaragoza F.T.Fuentes:googlescopusDunn's index for cluster tendency assessment of pharmacological data sets
ArticleAbstract: Cluster tendency assessment is an important stage in cluster analysis. In this sense, a group of proPalabras claves:Classification accuracy, CLÚSTER ANALYSIS, Cluster tendency, Clusters overlap, Dunn's index, Pharmacological data sets, VAT techniquesAutores:García-De La Vega J.M., Grau-Ábalo R.d.C., Rabassa-Gutiérrez M., Rivera-Borroto O.M., Yovani Marrero-PonceFuentes:googlescopusOverview on the drug development process and molecular similarity-based virtual screening techniques
ReviewAbstract: Drug development is a very complex task but also very appreciated by the sensibility that generatesPalabras claves:Drug development process, Molecular similarity, Similarity searching, Virtual screening techniquesAutores:García-De La Vega J.M., Grau-Ábalo R.d.C., Hernández Díaz Y., Maykel Cruz-Monteagudo, Rivera-Borroto O.M., Yovani Marrero-PonceFuentes:scopusIntegration of ligand and structure-based virtual screening for identification of leading anabolic steroids
ArticleAbstract: Parallel ligand- and structure-based virtual screenings of 269 steroids with anabolic activity evaluPalabras claves:Anabolic steroids, CLÚSTER ANALYSIS, QSAR and docking studies, Quantum and physicochemical molecular descriptor, Virtual ScreeningAutores:Agramonte-Delgado A., Alvarez-Ginarte Y.M., Bencomo-Martínez A., García-De La Vega J.M., Mikosch H., Montero-Cabrera L.A., Pupo A., Ruíz-García J.A., Yovani Marrero-PonceFuentes:googlescopus