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A non-conformational QSAR study for plant-derived larvicides against Zika Aedes aegypti L. vector
ArticleAbstract: A set of 263 plant-derived compounds with larvicidal activity against Aedes aegypti L. (Diptera: CulPalabras claves:Aedes aegypti vector, freeware, Larvicidal activity, MLR method, QSAR analysisAutores:Pablo R. Duchowicz, Romanelli G.P., Saavedra L.M.Fuentes:scopusEstudio qspr en indices de refraccion de polimeros mediante descriptores flexibles
OtherAbstract:Palabras claves:Autores:Bacelo D.E., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopusQSAR analysis on tacrine-related acetylcholinesterase inhibitors
ArticleAbstract: Background: The evaluation of the clinical effects of Tacrine has shown efficacy in delaying the detPalabras claves:Acetylcholinesterase Inhibitor, Alzheimer's disease, QSAR Theory, Tacrine, ValidationAutores:Honarparvar B., Mercader A.G., Pablo R. Duchowicz, Romanelli G.P., Saavedra L.M., Wong K.Y.Fuentes:scopusQSPR studies on refractive indices of structurally heterogeneous polymers
ArticleAbstract: We developed a pbkp_redictive Quantitative Structure-Property Relationship (QSPR) for the refractivePalabras claves:CORAL software, Graph Theory, Monte Carlo method, polymer, QSPR Theory, Refractive indexAutores:Bacelo D.E., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopusQSPR study on refractive indices of solvents commonly used in polymer chemistry using flexible molecular descriptors
ArticleAbstract: A pbkp_redictive Quantitative Structure–Property Relationship (QSPR) for the refractive indices of 3Palabras claves:CORAL method, Graph Theory, polymer, QSPR Theory, Refractive indexAutores:Bacelo D.E., Cui W.P., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M.Fuentes:scopusQuantitative Structure-Antifungal Activity Relationships for cinnamate derivatives
ArticleAbstract: Quantitative Structure-Activity Relationships (QSAR) are established with the aim of analyzing the fPalabras claves:Antifungal activity, Cinnamate derivatives, Molecular descriptors, QSAR TheoryAutores:Pablo R. Duchowicz, Romanelli G.P., Ruiz D.M., Saavedra L.M.Fuentes:scopusQuantitative structure–activity relationship (QSAR) analysis of plant-derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely available descriptors
ArticleAbstract: BACKGROUND: We have developed a quantitative structure–activity relationship (QSAR) model for pbkp_rPalabras claves:Aedes Aegypti, EPI Suite program, Larvicidal activity, PaDEL open-source softwares, quantitative structure–activity relationship (QSAR) theoryAutores:Pablo R. Duchowicz, Romanelli G.P., Saavedra L.M.Fuentes:scopusPbkp_redicting zebrafish (Danio rerio) embryo developmental toxicity through a non-conformational QSAR approach
ArticleAbstract: For many years, the frequent use of synthetic chemicals in the manufacture of veterinary drugs and pPalabras claves:Developmental toxicity, Freely available software, Non-conformational descriptors, QSAR approach, Zebrafish embryosAutores:Pablo R. Duchowicz, Saavedra L.M.Fuentes:scopusThe Use of the Index of Ideality of Correlation to Build Up Models for Bioconcentration Factor
ArticleAbstract: We establish a QSPR analysis for the bioconcentration factor of 851 heterogeneous structural compounPalabras claves:Bioconcentration Factor, CORAL software, Index of ideality of correlation, Molecular descriptors, Monte Carlo method, QSPR, Replacement methodAutores:Castro E.A., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopusThe quantitative structure–insecticidal activity relationships from plant derived compounds against chikungunya and zika Aedes aegypti (Diptera:Culicidae) vector
ArticleAbstract: The insecticidal activity of a series of 62 plant derived molecules against the chikungunya, denguePalabras claves:Aedes Aegypti, CHIKUNGUNYA, Insecticidal activity, MLR analysis, QSAR Theory, zikaAutores:Pablo R. Duchowicz, Romanelli G.P., Rozo C.E., Saavedra L.M.Fuentes:scopus