Search for dissertations about: "qspr model"
Found 4 swedish dissertations containing the words qspr model.
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1. Chemoinformetics for green chemistry
Abstract : This thesis focuses on the development of quantitative structure-activity relationship (QSPR) models for physicochemical properties, e.g., vapor pressure and partitioning coefficients. Such models can be used to estimate environmental distribution and transformation of the pollutants or to characterize solvents properties. READ MORE
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2. Microextraction for usage in environmental monitoring and modelling of nitroaromatic compounds and haloanisoles
Abstract : Processes in the environment are often complex and the description and prediction of the behaviour of environmental pollutants requires sophisticated methodology including multidimensional technology. Multivariate statistical methods including principal component analysis (PCA) and partial least squares projection to latent structures (PLS) were used to characterise several nitroaromatic compounds according to a large number of chemical and physical properties. READ MORE
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3. Prioritization of phytotoxins according to their threat to water quality
Abstract : Natural toxins are pollutants of emerging concern. Despite being ubiquitous in the European environment, thus far little action has been taken to conduct screening-level assessment of their presence in drinking water. READ MORE
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4. Persistent Organic Pollutants and the Environment : A Chemometric Approach to the Study of Halogenated Aromatics
Abstract : Concern is growing about the environmental and health effects of persistent organic pollutants (POPs), many of which are halogenated aromatic compunds. The research reported in this thesis focuses on factors determining their behaviour and release into the environment. READ MORE