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Electronic descriptors for the antimalarial activity of sulfonamides
(2016-08-01)
As an interesting class of materials for designing new antimalarial drugs, sulfonamides have shown potential for several pharmacological applications. In this study, multivariate data analyses were employed to correlate ...
Antioxidant activity of flavonols
(2004-04-20)
In this work we use a single new electronic index to describe the antioxidant activity of the flavonols, a special class of flavonoids. We also try to predict theoretically the antioxidant activity of some yet nonisolated ...
Antioxidant activity of flavonols
(2004-04-20)
In this work we use a single new electronic index to describe the antioxidant activity of the flavonols, a special class of flavonoids. We also try to predict theoretically the antioxidant activity of some yet nonisolated ...
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 ...
Analytic hierarchy prioritisation of new product development activities for electronics manufacturing
(Taylor & Francis Ltd, 2012-01-01)
New product development (NPD) is a managerial process, performed by many activities. The purpose of this paper is to present the application of the analytic hierarchy process (AHP) to prioritise activities of NPD for ...
Analytic hierarchy prioritisation of new product development activities for electronics manufacturing
(Taylor & Francis Ltd, 2012-01-01)
New product development (NPD) is a managerial process, performed by many activities. The purpose of this paper is to present the application of the analytic hierarchy process (AHP) to prioritise activities of NPD for ...
Basis Electronic Activity of Molecular Systems. A Theory of Bond Reactivity
(2024)
In this paper, we present a new finding, the basis electronic activity (BEA) of molecular systems; it corresponds to the significant, although nonreactive, vibrationally induced electronic activity that takes place in any ...
Relation between antioxidant activity and electronic structure of Phenols
(Wiley-Blackwell, 2003-11-05)
We describe a new physicochemical descriptor of the antioxidant activity of phenols, the energy difference between the two highest occupied molecular orbitals, which we believe will improve quantitative structure-activity ...
Relation between antioxidant activity and electronic structure of Phenols
(Wiley-Blackwell, 2003-11-05)
We describe a new physicochemical descriptor of the antioxidant activity of phenols, the energy difference between the two highest occupied molecular orbitals, which we believe will improve quantitative structure-activity ...