Mostrando 10 resultados de: 13
Publisher
Journal of Computational Chemistry(2)
Advances in Parallel Computing(1)
Briefings in Bioinformatics(1)
Frontiers in Chemistry(1)
Journal of Chemical Information and Modeling(1)
Área temáticas
Ciencias de la computación(4)
Programación informática, programas, datos, seguridad(4)
Química física(4)
Medicina y salud(3)
Biología(2)
Área de conocimiento
Ciencias de la computación(4)
Algoritmo(2)
Proteína(2)
Software(2)
Aprendizaje automático(1)
Objetivos de Desarrollo Sostenible
ODS 9: Industria, innovación e infraestructura(13)
ODS 3: Salud y bienestar(9)
ODS 8: Trabajo decente y crecimiento económico(2)
ODS 12: Producción y consumo responsables(1)
ODS 4: Educación de calidad(1)
Origen
scopus(13)
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: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:scopusIMMAN: free software for information theory-based chemometric analysis
ArticleAbstract: Abstract: The features and theoretical background of a new and free computational program for chemomPalabras claves:chemometric analysis, classification, Computational program, feature selection, IMMAN, Information-theoretic functionAutores:César R. García-Jacas, Pérez-Giménez F., Stephen Jones Barigye, Urias R.W.P., Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusErratum: Alignment-Free Antimicrobial Peptide Predictors: Improving Performance by a Thorough Analysis of the Largest Available Data Set (J. Chem. Inf. Model. (2021) 61:6 (3141−3157) DOI: 10.1021/acs.jcim.1c00251)
OtherAbstract: The conflict of interest declaration should read as follows: “M.K.G. has an equity interest in and iPalabras claves:Autores:Brizuela C.A., César R. García-Jacas, Gilson M.K., Pinacho-Castellanos S.A.Fuentes:scopusQuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps
ArticleAbstract: The present report introduces the QuBiLS-MIDAS software belonging to the ToMoCoMD-CARDD suite for thPalabras claves:3D N-linear indices, chemical development kit, double stochastic and mutual probability matrices, Java language, N-tuple simple stochastic, N-tuple spatial-(Dis)similarity matrix, QuBiLS-MIDAS, scalability, Speed up, ToMoCoMD-CARDDAutores:Acevedo-Martínez L., César R. García-Jacas, Ernesto Contreras-Torres, Stephen Jones Barigye, Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusMTGWA: A Multithreaded Gray Wolf Algorithm with Strategies Based on Simulated Annealing and Genetic Algorithms
Conference ObjectAbstract: In this paper, we present an improvement of the Gray Wolf algorithm (GWO) based on a multi-threadedPalabras claves:Gray Wolf algorithm, metaheuristics, Multi-threaded execution, Nature-inspired algorithm, Optimization, Optimization techniquesAutores:César R. García-Jacas, Guerrero-Valadez J.M., Martinez-Rios F.O., Murillo-Suarez A.Fuentes:scopusMulti-server approach for high-throughput molecular descriptors calculation based on multi-linear algebraic maps
ArticleAbstract: The present report introduces a novel module of the QuBiLS-MIDAS software for the distributed computPalabras claves:3D N-linear algebraic descriptors, Distributed computing system, Multi-server architecture, Platform of distributed tasks, QuBiLS-MIDAS, T-arenal, ToMoCoMD-CARDDAutores:Acevedo-Martinez L., Aguilera-Mendoza L., Avdeenko T., César R. García-Jacas, González-Pérez R., Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopusNovel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes
ArticleAbstract: In the present study, we introduce novel 3D protein descriptors based on the bilinear algebraic formPalabras claves:3D protein descriptor, Bilinear form, Coulombic matrix, Lda, Protein structural classesAutores:Alvarado Y.J., César R. García-Jacas, Cubillan N., Ernesto Contreras-Torres, Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopus