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scopus(15)
Exploring 3-arylquinoxaline-2-carbonitrile 1,4-di-N-oxides activities against neglected diseases with QSAR
ArticleAbstract: This work reveals our efforts to continue identifying new active compounds against neglected diseasePalabras claves:Antimycobacterial, Antiplasmodial, MALARIA, Multivariable Linear Regression, Neglected diseases, Quantitative structure-activity relationships, Quinoxaline oxides, TuberculosisAutores:Castro E.A., Monge A., Ortiz E.V., Pablo R. Duchowicz, Vicente E.Fuentes:scopusConformation-independent QSAR on c-Src tyrosine kinase inhibitors
ArticleAbstract: The main idea of this work was to find predictive quantitative structure-activity relationships (QSAPalabras claves:C-Src tyrosine kinase, Multivariable linear regression analysis, Pyrrolo-pyrimidine derivatives, QSAR Theory, Structural descriptorsAutores:Castro E.A., Comelli N.C., Kolacz M., Ortiz E.V., Pablo R. Duchowicz, Toropov A.A., Toropova A.P.Fuentes:scopusApplication of quantitative structure-property relationship analysis to estimate the vapor pressure of pesticides
ArticleAbstract: The application of molecular descriptors in describing Quantitative Structure Property RelationshipsPalabras claves:Multivariable Linear Regression (MLR), PESTICIDES, Quantitative Structure-Property Relationships (QSPR), Vapor pressure (VP)Autores:dos Santos Coelho L., Goodarzi M., Honarparvar B., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusLinear and non-linear relationships mapping the Henry's law parameters of organic pesticides
ArticleAbstract: This work aims to predict the air to water partitioning for 96 organic pesticides by means of the QuPalabras claves:artificial neural networks, Dragon molecular descriptors, Henry's law constant, QSPR-QSAR Theory, Replacement methodAutores:dos Santos Coelho L., Goodarzi M., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusThe conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants
ArticleAbstract: In advanced water treatment processes, the degradation efficiency of contaminants depends on the reaPalabras claves:Molecular descriptors, quantitative structure-property relationships, Reaction rate constant, Replacement method, Water micropollutantAutores:Bacelo D.E., Bennardi D.O., Fioressi S.E., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusSustainable synthesis of flavonoid derivatives, QSAR study and insecticidal activity against the fall armyworm, spodoptera frugiperda (Lep.: Noctuidae)
ArticleAbstract: A simple, clean, solvent-free preparation of flavones by the use of a silica-supported Preyssler hetPalabras claves:Fall armyworm, Flavones, Heteropolyacid, Insecticidal activity, Preyssler catalyst, QSAR, SPODOPTERA FRUGIPERDA, Sustainable synthesisAutores:Autino J.C., Bennardi D.O., Gaddi A.L., Ortiz E.V., Pablo R. Duchowicz, Romanelli G.P., Ruiz D.M., Virla E.G.Fuentes:scopusQSAR Study of Biologically Active Essential Oils against Beetles Infesting the Walnut in Catamarca, Argentina
ArticleAbstract: Essential oils from six species of aromatic plants collected in the Catamarca Province of ArgentinaPalabras claves:Carpophilus spp. (Coleoptera: Nitidulidae), chemoinformatics, essential oils, generalized estimating equations, Oryzaephilus spp. (Coleoptera: Silvanidae), Principal Component Analysis, repellent and insecticide activity, WalnutsAutores:Carrizo A., Comelli N.C., Diez P.A., Marinho C.F., Ortiz E.V., Pablo R. Duchowicz, Romero O.E., Schliserman P.Fuentes:scopusQSAR analysis on Spodoptera litura antifeedant activities for flavone derivatives
ArticleAbstract: We establish useful models that relate experimentally measured biological activities of compounds toPalabras claves:Antifeedant activity, Flavone derivatives, pED 50, QSAR Theory, Replacement methodAutores:Autino J.C., Bennardi D.O., Castro E.A., Goodarzi M., Ocsachoque M.A., Ortiz E.V., Pablo R. Duchowicz, Romanelli G.P., Ruiz D.M.Fuentes:scopusQSAR models for insecticidal properties of plant essential oils on the housefly (Musca domestica L.)
ArticleAbstract: The fumigant and topical activities exhibited by 27 plant-derived essentials oils (EOs) on adult M.Palabras claves:essential oils, Insecticidal activity, Molecular descriptors, Musca domesticaL, Quantitative structure-activity relationshipsAutores:Bennardi D.O., Comelli N.C., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusQSAR models for the fumigant activity prediction of essential oils
ArticleAbstract: The Quantitative Structure-Activity Relationships (QSAR) theory, which allows predicting the insectiPalabras claves:essential oils, Fumigant activity, Molecular descriptors, Quantitative structure-activity relationshipsAutores:Bennardi D.O., Comelli N.C., Ortiz E.V., Pablo R. DuchowiczFuentes:scopus