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Antibiotics(2)
Journal of Computational Chemistry(2)
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Chemical Research in Toxicology(1)
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Ciencias de la computación(6)
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Complex Networks Analyses of Antibiofilm Peptides: An Emerging Tool for Next-Generation Antimicrobials’ Discovery
ArticleAbstract: Microbial biofilms cause several environmental and industrial issues, even affecting human health. APalabras claves:antibiofilm peptide, centrality measure, chemical space, Complex network, motif discovery, StarPep toolboxAutores:Agüero-Chapin G., Antunes A., César H. Zambrano, Ernesto Contreras-Torres, Jose R. Mora, Martinez-Rios F.O., Noel Perez, Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusA Novel Network Science and Similarity-Searching-Based Approach for Discovering Potential Tumor-Homing Peptides from Antimicrobials
ArticleAbstract: Peptide-based drugs are promising anticancer candidates due to their biocompatibility and low toxiciPalabras claves:Cáncer, centrality measure, chemical space network, Complex network, group fusion, in silico drug discovery, motif discovery, Similarity searching, starPep toolbox software, tumor-homing peptideAutores:Agüero-Chapin G., Aguilera-Mendoza L., Antunes A., Hortensia Rodriguez Cabrera, Martinez-Rios F.O., Maylin Romero, Yovani Marrero-PonceFuentes:googlescopusEnhancing 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: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: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:scopusμθ -EGF: A New Multi-Thread and Nature-Inspired Algorithm for the Packing Problem
ArticleAbstract: In this paper, the authors present a new algorithm efficient solution to the packing problem in twoPalabras claves:Gravitational algorithms, industry 4.0, Multi-threaded algorithms, Nature-inspired algorithm, Optimization, Packing problemAutores:César R. García-Jacas, Marmolejo-Saucedo J.A., Martinez-Rios F.O., Murillo-Suarez A.Fuentes: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:scopus