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Mostrando ítems 1-10 de 2010
The correlation between electronic structure and antimalarial activity of tetrahydropyridines
(Soc Brasileira Quimica, 2015-02-01)
In this study, correlations between electronic structure and the antimalarial activities reported for a group of 21 tetrahydropyridines were evaluated by multivariate methods. Simple and multiple linear regressions, principal ...
Amino acid profiles and quantitative structure-property relationships for malts and beers
(Elsevier Science, 2010-05)
Experimental amino acid concentrations of blonde and black commercial beers, brewed in Argentina, as well as national malts were subjected for the first time to Quantitative Structure-Property Relationships (QSPRs). Thus, ...
Prediction of the aqueous solubility of diverse compounds by 2D-QSPR
(Elsevier Science, 2020-03)
Non conformational QSPR models were built for the aqueous solubility (mol/L) at 25 °C of 5610 structurally heterogeneous compounds, including pesticides, drugs and solvents, among others, with a wide range of aqueous ...
Antifungal toxicity of linear geranylphenol. Influence of oxigenate substituents
(Elsevier Ltd, 2017)
Local influence in comparative calibration models under elliptical t-distributions
(Akademie Verlag GmbhBerlinAlemanha, 2005)
Application of k-means clustering, linear discriminant analysis and multivariate linear regression for the development of a predictive QSAR model on 5-lipoxygenase inhibitors
(Elsevier Science, 2015-04)
In this work, we performed a quantitative structure activity relationship (QSAR) model for a family of 5-lipoxygenase (5-LOX) inhibitors using k-means clustering and linear discriminant analysis (LDA) for the selection of ...
Prediction of elongation at break for linear polymers
(Elsevier Science, 2014-09-26)
In this paper we present results on prediction of elongation at break (target property) for a group of 77 amorphous polymers of high molecular weight. Novel descriptors are proposed in order to better represent structural ...
Relationships among forest structure, solar radiation, and plant community in ponderosa pine plantations in the Patagonian steppe
(Elsevier, 2021-12)
In Patagonia, Argentina, forest management in plantations with exotic pines usually focus on timber production, without considering the plant community of their understory. However, there is growing interest in conserving ...