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Current Computer-Aided Drug Design(1)
Current Topics in Medicinal Chemistry(1)
Environmental Science: Nano(1)
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A Fuzzy System Classification Approach for QSAR Modeling of αAmylase and α-Glucosidase Inhibitors
ArticleAbstract: Introduction: This report proposes the application of a new Machine Learning algorithm called FuzzyPalabras claves:Anti-diabetic agents, FURIA-C, induction rule, Lda, machine-learning techniques, QSARAutores:Amilkar Puris, Gerardo M. Casañola-Martin, González‐díaz H., Karel Diéguez-Santana, Rasulev B., Rivera-Borroto O.M.Fuentes:googlescopusIn silico assessment of ADME properties: Advances in Caco-2 cell monolayer permeability modeling
ReviewAbstract: One of the main goals of in silico Caco-2 cell permeability models is to identify those drug substanPalabras claves:Adme, Biopharmaceutics classification system (BCS), Caco-2 cell permeability, Human intestinal absorption, In vitro-in vivo correlation (IVIVC), QSAR/QSPRAutores:Garit J., Gerardo M. Casañola-Martin, Nam N.H., Pérez M.A.C., Pham-The H., Rasulev B., Thu H.L.T.Fuentes:scopusTowards rational nanomaterial design by pbkp_redicting drug-nanoparticle system interaction vs. bacterial metabolic networks
ArticleAbstract: The emergence of multidrug-resistant (MDR) strains with perturbed metabolic networks (MNs) pushes rePalabras claves:Autores:González‐díaz H., Karel Diéguez-Santana, Rasulev B.Fuentes:googlescopusThe Hydrolysis Rate of Paraoxonase-1 Q and R Isoenzymes: An In Silico Study Based on In Vitro Data
ArticleAbstract: Human serum paraoxonase-1 (PON1) is an important hydrolase-type enzyme found in numerous tissues. NoPalabras claves:Isoenzymes, Molecular docking, molecular dynamics, molecular modeling, PON1, QM/MM, QSAR, RPON1Autores:Gauld J.W., Gerardo M. Casañola-Martin, Karabulut S., Mansour B., Rasulev B.Fuentes:scopus