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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:scopusDarwinian Evolution from a Generational Point of View
Book PartAbstract: The potential implications of an extended generational overlap in the context of the biological evolPalabras claves:Darwinian evolution, fitness, Natural selection, Overlapping generationsAutores:José Suárez-Lezcano, Leyva Y., Martin O.Fuentes:scopusFrom a coenzyme-like mechanism to homochirality
ArticleAbstract: Inspired in a coenzyme-like behavior, an alternative mechanism to induce homochirality within a smalPalabras claves:Autocatalysis, Co-enzymatic reactions, Homochirality, Stochastic modelingAutores:José Suárez-Lezcano, Leyva Y., Martin O., Yovani Marrero-Ponce, Yunierkis Perez-CastilloFuentes: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: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: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:scopusSmoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding
ArticleAbstract: A novel spherical truncation method, based on fuzzy membership functions, is introduced to truncatePalabras claves:3D molecular descriptors, fuzzy membership degree, fuzzy membership functions, geometry matrix, neighborhood matrix, Principal Component Analysis, quantitative structure–activity relationships (QSAR), QuBiLS-MIDAS, spherical truncation, Variability analysisAutores:Brizuela C.A., César R. García-Jacas, José Suárez-Lezcano, Martinez-Rios F.O., Yovani Marrero-PonceFuentes:scopusThe minimal and the optimal size for two different types of encapsulated replicator systems
ArticleAbstract: During this work, the viability of encapsulated replicators systems as a function of the vesicle sizPalabras claves:Encapsulated systems, Protocells, Replication, Self-Organization, VesiclesAutores:José Suárez-Lezcano, Leyva Y., Martin O., Yovani Marrero-Ponce, Yunierkis Perez-CastilloFuentes:scopusThe optimal size of protocells from simple entropic considerations
ArticleAbstract: Potential constraints on protocell size are developed from simple entropic considerations. To do thaPalabras claves:entropy, Entropy production, Primitive membranes, Proto-metabolism, ProtocellAutores:Fundora-Pozo M., José Suárez-Lezcano, Leyva Y., Martin O., Perez N.Fuentes:scopus