Mostrando 4 resultados de: 4
Filtros aplicados
Subtipo de publicación
Article(4)
Publisher
Afinidad(1)
Current Bioinformatics(1)
IEEE/ACM Transactions on Computational Biology and Bioinformatics(1)
Journal of Chemical Information and Modeling(1)
Área temáticas
Ingeniería y operaciones afines(1)
Programación informática, programas, datos, seguridad(1)
Química física(1)
Álgebra(1)
Comparison of combinatorial clustering methods on pharmacological data sets represented by machine learning-selected real molecular descriptors
ArticleAbstract: Cluster algorithms play an important role in diversity related tasks of modern chemoinformatics, witPalabras claves:Autores:García-De La Vega J.M., Grau-Ábalo R.d.C., Rivera-Borroto O.M., Yovani Marrero-PonceFuentes:googlescopusNovel similarity measures for the effective and efficient retrieval of pharmacological datasets
ArticleAbstract: Similarity searching is an important facility in modern chemical information management systems to aPalabras claves:Machine learning descriptor selection, Medicinal chemistry datasets, Nearest neighbours, Similarity Measures, Similarity SearchAutores:Del Corazón Grau Ábalo R., Díaz Y.H., García-De La Vega J.M., Rivera-Borroto O.M., Yovani Marrero-PonceFuentes:googlescopusOptimum search strategies or novel 3D molecular descriptors: Is there a stalemate?
ArticleAbstract: The present manuscript describes a novel 3D-QSAR alignment free method (QuBiLS-MIDAS Duplex) based oPalabras claves:3D-QSAR, aggregation operator, Alignment free method, Minkowski distance matrix, Principal Component Analysis, QuBiLS-MIDAS, ToMoCoMD-CARDD, Two-tuple spatial-(dis)similarity matrix, Variability analysisAutores:Alvarado Y.J., César R. García-Jacas, Cubillan N., Pino-Urias R.W., Rivera-Borroto O.M., Stephen Jones Barigye, Thu H.L.T., Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusRelational Agreement Measures for Similarity Searching of Cheminformatic Data Sets
ArticleAbstract: Research on similarity searching of cheminformatic data sets has been focused on similarity measuresPalabras claves:Chemistry, reliability, Similarity Measures, Sorting and searchingAutores:García-De La Vega J.M., Grau-Ábalo R.d.C., Rivera-Borroto O.M., Yovani Marrero-PonceFuentes:googlescopus