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Conformation-dependent QSAR approach for the pbkp_rediction of inhibitory activity of bromodomain modulators
ArticleAbstract: Epigenetic drug discovery is a promising research field with growing interest in the scientific commPalabras claves:3D molecular descriptors, Applicability domain, Bromodomains, epigenetic drug discovery, QSAR, QuBiLS-MIDAS, ToMoCoMD-CARDDAutores:César R. García-Jacas, Martinez-Mayorga K., Medina-Franco J.L., Yovani Marrero-PonceFuentes:scopusEnhancing Acute Oral Toxicity Pbkp_redictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes
ArticleAbstract: Quantitative structure-activity relationships (QSAR) are introduced to pbkp_redict acute oral toxiciPalabras claves:Autores:César R. García-Jacas, Cortés-Guzmán F., García-González L.A., José Suárez-Lezcano, Martinez-Mayorga K., Martinez-Rios F.O., Pupo-Meriño M., Yovani Marrero-PonceFuentes:scopusTensor algebra-based geometric methodology to codify central chirality on organic molecules
ArticleAbstract: A novel mathematical procedure to codify chiral features of organic molecules in the QuBiLS-MIDAS frPalabras claves:chirality, fenoterol stereoisomer derivatives, N-alkylated 3-(3-hydroxyphenyl)-piperidines, perindoprilat stereoisomers, QSAR, QuBiLS-MIDAS, stereochemistry, ToMoCoMD-CARDDAutores:Aguilera-Fernández I., César R. García-Jacas, Hernández-Ortega T., Ledesma-Romero J.C., Lisset Cabrera-Leyva, Martinez-Mayorga K., Rodríguez-León A.R., Yovani Marrero-PonceFuentes:scopus