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scopus(35)
Choquet integral-based fuzzy molecular characterizations: When global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs)
ArticleAbstract: Background: Several topological (2D) and geometric (3D) molecular descriptors (MDs) are calculated fPalabras claves:Aggregation operators, Choquet Integral, Fuzzy measures, LOEIs, LOVIs, Molecular descriptors, QSAR, QuBiLS-MIDAS molecular descriptors, ToMoCoMD-CARDD softwareAutores:César R. García-Jacas, Cortés-Guzmán F., José Suárez-Lezcano, Lisset Cabrera-Leyva, Pupo-Meriño M., Vivas-Reyes R., Yovani Marrero-PonceFuentes:scopusAutomatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach
ArticleAbstract: The increasing interest in bioactive peptides with therapeutic potentials has been reflected in a laPalabras claves:Autores:Aguilera-Mendoza L., Beltran J.A., Brizuela C.A., César R. García-Jacas, Chavez E., Guillen-Ramirez H.A., Yovani Marrero-PonceFuentes:scopusConformation-dependent QSAR approach for the prediction 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:scopusConstraining the Prebiotic Cell Size Limits in Extremely Hostile Environments: A Dynamical Perspective
ReviewAbstract: The ability to support a replicator population in an extremely hostile environment is considered inPalabras claves:Chemical replicator, environment, Prebiotic cell, Reproduction rateAutores:César R. García-Jacas, Leyva Y., Martin O.Fuentes:scopusAlignment-Free Antimicrobial Peptide Predictors: Improving Performance by a Thorough Analysis of the Largest Available Data Set
ArticleAbstract: In the last two decades, a large number of machine-learning-based predictors for the activities of aPalabras claves:Autores:Brizuela C.A., César R. García-Jacas, Gilson M.K., Pinacho-Castellanos S.A.Fuentes:scopusDatabase fingerprint (DFP): an approach to represent molecular databases
ArticleAbstract: Background: Molecular fingerprints are widely used in several areas of chemoinformatics including diPalabras claves:DIVERSITY, Information content, Molecular fingerprints, Shannon entropy, similarityAutores:César R. García-Jacas, Fernández-De Gortari E., Martinez-Mayorga K., Medina-Franco J.L.Fuentes:scopusDistributed and multicore QuBiLS-MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra
ArticleAbstract: Advances to the distributed, multi-core and fully cross-platform QuBiLS-MIDAS software v2.0 (http://Palabras claves:chiral molecular descriptor, Choquet Integral, fuzzy membership function, fuzzy molecular descriptor, fuzzy spherical truncation, geometrical (3D) molecular descriptor, GOWA aggregation operator, GOWAWA aggregation operator, QuBiLS-MIDAS software, weighted molecular descriptorAutores:Aguilera-Mendoza L., César R. García-Jacas, José Suárez-Lezcano, Julio E. Terán, Martinez-Rios F.O., Vivas-Reyes R., Yovani Marrero-PonceFuentes:scopusDo deep learning models make a difference in the identification of antimicrobial peptides?
ArticleAbstract: In the last few decades, antimicrobial peptides (AMPs) have been explored as an alternative to classPalabras claves:Autores:Brizuela C.A., César R. García-Jacas, García-González L.A., Pinacho-Castellanos S.A.Fuentes:scopusDrug repositioning for novel antitrichomonas from known antiprotozoan drugs using hierarchical screening
ArticleAbstract: Aim: Metronidazole is the most widely used drug in trichomoniasis therapy. However, the emergence ofPalabras claves:antitrichomonas, QSAR, QuBiLS-MAS, ToMoCoMD-CARDD, Trichomonas vaginalisAutores:Arán-Redó V.J., César R. García-Jacas, Enrique Terán, García-Trevijano J.A.E., Gómez-Barrio A., Ibáñez-Escribano A., Machado-Tugores Y., Meneses-Marcel A., Nogal-Ruiz J.J., Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopusFuzzy spherical truncation-based multi-linear protein descriptors: From their definition to application in structural-related predictions
ArticleAbstract: This study introduces a set of fuzzy spherically truncated three-dimensional (3D) multi-linear descrPalabras claves:3D-protein descriptors, folding rate, fuzzy membership degree, fuzzy membership functions, MuLiMs-MCoMPAs, multi-linear algebraic forms, SCOP structural classes tensor algebra-based fuzzy spherically truncated descriptors for protein Science, spherical truncationAutores:Agüero-Chapin G., Antunes A., César R. García-Jacas, Ernesto Contreras-Torres, Julio E. Terán, Yovani Marrero-PonceFuentes:scopus