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Article(3)
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Afinidad(1)
Journal of Chemical Information and Modeling(1)
Journal of the Brazilian Chemical Society(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:googlescopusComparison 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:scopusIn silico antibacterial activity modeling based on the TOMOCOMD-CARDD approach
ArticleAbstract: In the recent times, the race to cope with the increasing multidrug resistance of pathogenic bacteriPalabras claves:Antibacterial activity, Atom-based bilinear index, linear discriminant analysis, QSAR, ToMoCoMD-CARDD software, Virtual ScreeningAutores:Acevedo-Barrios R., Arán V.J., García-Bernal M., García-De La Vega J.M., García-Domenech R., Garit J., Medina-Marrero R., Pérez-Giménez F., Stephen Jones Barigye, Torrens F., Yovani Marrero-PonceFuentes:scopus