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Automatic 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: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: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:scopusGraph-based data integration from bioactive peptide databases of pharmaceutical interest: Toward an organized collection enabling visual network analysis
ArticleAbstract: Bioactive peptides have gained great attention in the academy and pharmaceutical industry since theyPalabras claves:Autores:Aguilera-Mendoza L., Beltran J.A., Brizuela C.A., Guillen-Ramirez H.A., Tellez-Ibarra R., Yovani Marrero-PonceFuentes:googlescopusHandcrafted 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: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:scopusMuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors
ArticleAbstract: This report introduces the MuLiMs-MCoMPAs software (acronym for Multi-Linear Maps based on N-MetricPalabras claves:Autores:Brizuela C.A., César R. García-Jacas, Ernesto Contreras-Torres, Julio E. Terán, Sánchez-Rodríguez J.C., 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:scopus