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Molecular Pharmaceutics(2)
Current Drug Metabolism(1)
Current Protein and Peptide Science(1)
International Journal of Molecular Sciences(1)
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Multi-output model with Box–Jenkins operators of linear indices to pbkp_redict multi-target inhibitors of ubiquitin–proteasome pathway
ArticleAbstract: The ubiquitin–proteasome pathway (UPP) plays an important role in the degradation of cellular proteiPalabras claves:CHEMBL, Moving averages, Multi-scale and multi-output models, multi-target, QSAR, Ubiquitin–proteasome pathway inhibitorsAutores:Abad C., Gerardo M. Casañola-Martin, González‐díaz H., Merino-Sanjuán M., Pérez-Giménez F., Thu H.L.T., Yovani Marrero-PonceFuentes:scopusMulti-output model with box-jenkins operators of quadratic indices for pbkp_rediction of malaria and cancer inhibitors targeting ubiquitin-proteasome pathway (UPP) proteins
ArticleAbstract: The ubiquitin-proteasome pathway (UPP) is the primary degradation system of short-lived regulatory pPalabras claves:Atom-based quadratic indices, Cáncer, CHEMBL, MALARIA, Moving average, Multi-scale and multi-output model, multi-target, QSAR, UPP inhibitorAutores:Abad C., Gerardo M. Casañola-Martin, González‐díaz H., Merino-Sanjuán M., Pérez-Giménez F., Thu H.L.T., Yovani Marrero-PonceFuentes:scopusMultioutput Perturbation-Theory Machine Learning (PTML) Model of ChEMBL Data for Antiretroviral Compounds
ArticleAbstract: Retroviral infections, such as HIV, are, until now, diseases with no cure. Medicine and pharmaceuticPalabras claves:antiretroviral compounds, BIG DATA, CHEMBL, Machine learning, perturbation theoryAutores:Eduardo Tejera, Emilia Vásquez-Domínguez, González‐díaz H., Vinicio Danilo Armijos-JaramilloFuentes:googlescopusMachine Learning Study of Metabolic Networks vs ChEMBL Data of Antibacterial Compounds
ArticleAbstract: Antibacterial drugs (AD) change the metabolic status of bacteria, contributing to bacterial death. HPalabras claves:antibacterial compounds, CHEMBL, complex networks, Information Fusion, Machine learning, multidrug-resistant, perturbation theoryAutores:Gerardo M. Casañola-Martin, González‐díaz H., Green J.R., Karel Diéguez-Santana, Rasulev B., Roldán Torres GutiérrezFuentes:googlescopusIfptml mapping of drug graphs with protein and chromosome structural networks vs. Pre‐clinical assay information for discovery of antimalarial compounds
ArticleAbstract: The parasite species of genus Plasmodium causes Malaria, which remains a major global health problemPalabras claves:Antimalarial compounds, CHEMBL, complex networks, Machine learning, NCBI‐GDV, perturbation theory, Plasmodium proteome, UniProtAutores:Bernabé Ortega-Tenezaca, González‐díaz H., Quevedo‐tumailli V.Fuentes:scopusQSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets
ReviewAbstract: The immune system helps to halt the infections caused by pathogenic microbial and parasitic agents.Palabras claves:CD19 lymphocytes, CHEMBL, complex networks, Drug immunotoxicity, Flow cytometry, Markov chains, perturbation theory, Spectral momentsAutores:Alejandro Speck-Planche, González‐díaz H., Luan F., Natalia Dias Soeiro Cordeiro M., Ramirez F.R., Tenorio-Borroto E.Fuentes:scopus