Mostrando 10 resultados de: 33
Filtros aplicados
Publisher
Journal of Chemical Information and Modeling(3)
Journal of Cheminformatics(3)
Journal of Computational Chemistry(3)
SAR and QSAR in Environmental Research(3)
Briefings in Bioinformatics(2)
Área temáticas
Ciencias de la computación(13)
Química física(7)
Biología(6)
Programación informática, programas, datos, seguridad(6)
Medicina y salud(4)
Área de conocimiento
Bioquímica(5)
Ciencias de la computación(5)
Aprendizaje automático(4)
Ingeniería química(4)
Optimización matemática(4)
Objetivos de Desarrollo Sostenible
ODS 3: Salud y bienestar(27)
ODS 12: Producción y consumo responsables(16)
ODS 17: Alianzas para lograr los objetivos(13)
ODS 4: Educación de calidad(3)
ODS 8: Trabajo decente y crecimiento económico(3)
Origen
scopus(33)
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: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: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:scopusGOWAWA Aggregation Operator-based Global Molecular Characterizations: Weighting Atom/bond Contributions (LOVIs/LOEIs) According to their Influence in the Molecular Encoding
ArticleAbstract: A different perspective to compute global weighted definitions of molecular descriptors from the conPalabras claves:3D molecular descriptors, Aggregation operators, data fusion, LOEIs, LOVIs, OWA aggregation operator, OWAWA aggregation operator, QuBiLS-MIDAS, WA aggregation operatorAutores:César R. García-Jacas, Cortés-Guzmán F., García-González L.A., José Suárez-Lezcano, Lisset Cabrera-Leyva, Yovani Marrero-PonceFuentes:scopusHandcrafted versus non-handcrafted (self-supervised) features for the classification of antimicrobial peptides: Complementary or redundant?
ArticleAbstract: Antimicrobial peptides (AMPs) have received a great deal of attention given their potential to becomPalabras claves:Antimicrobial peptides, deep learning, Explainable artificial intelligence, handcrafted features, Non-handcrafted features, self-supervision, shallow learningAutores:Brizuela C.A., César R. García-Jacas, García-González L.A., Martinez-Rios F.O., Tapia-Contreras I.P.Fuentes:scopus