Search for dissertations about: "statistical molecular design"

Showing result 11 - 15 of 44 swedish dissertations containing the words statistical molecular design.

  2. 11. Practical application of machine learning for analyses of biological matrices and environmental phenomena

    Author : Alexandra Walsh; Göteborgs universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Machine learning; Surface enhanced Raman spectroscopy; Acute lymphatic leukaemia; Volatile halogenated organic carbons; Marine algae; Doxorubicin; Principal component analysis; Multivariate statistics; Design of experiments; Waterlogged archaelogical wood; Transposed orthogonal partial least squares;

    Abstract : This thesis presents research aimed at forwarding an understanding of machine learning methods as a method of studying complex matrices and environmental phenomena. A number of machine learning methods in the form of linear projection algorithms and statistical experimental designs were applied for qualitative analysis of different matrices. READ MORE

  4. 12. On the Thermodynamic Solvation of Biomolecules in Solution

    Author : Stefan Hervö Hansen; Beräkningskemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Solubility; Solvation; Aggregation; Statistical thermodynamics; Molecular dynamics; Monte Carlo simulations; Free energy calculations; Energy-representation theory of solvation; Proteins; Salt bridges; Caffeine;

    Abstract : The topic solvation thermodynamics is an important aspect of chemistry, dealing with the effects introduced by solvents onto solutes. In particular, biological systems are highly heterogeneous in their choice of solvent typically characterized by either being in a polar or non-polar environment. READ MORE

  5. 13. Physico-chemical characteristics and quantitative structure-activity relationships of PCBs

    Author : Patrik Andersson; Stephen Safe; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; polychlorinated biphenyls; PCBs; physico-chemical properties; statistical design; multivariate; PCA; PLS; biomagnification; BMF; bioassay; CYP1A; SAR; QSAR; REPs; risk assessment; Chemistry; Kemi; Chemistry; Kemi;

    Abstract : The polychlorinated biphenyls (PCBs) comprise a group of 209 congeners varying in the number of chlorine atoms and substitution patterns. These compounds tend to be biomagnified in foodwebs and have been shown to induce an array of effects in exposed organisms. READ MORE

  6. 14. Mapping the consequenses of physical exercise and nutrition on human health : A predictive metabolomics approach

    Author : Elin Chorell; Henrik Antti; Lorraine Brennan; Umeå universitet; []
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Metabolomics; physical exercise; cardiorespiratory fitness nutrition; high protein and fat diet; Lactobacillus F19; probiotics; GC-MS; plasma; chemometrics; multivariate analysis statistical experimental design; design of experiments; Chemistry; Kemi; Systems Analysis; systemanalys; näringslära; Nutrition; molecular medicine medical sciences ; molekylär medicin medicinska vetenskaper ;

    Abstract : Human health is a complex and wide-ranging subject far beyond nutrition and physical exercise. Still, these factors have a huge impact on global health by their ability to prevent diseases and thus promote health. READ MORE

  7. 15. Unwarping and Analysing Electrophoresis Gels

    Author : John Gustafsson; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Classification; Curved field lines; Gel matching; Image alignment; Image warping; Proteomics; Pulse-field gel electrophoresis; Two-dimensional electrophoresis; Variation; Yeast; Gel matching;

    Abstract : Gel electrophoresis is a technology in molecular biology that is used to separate and quantify biomolecules, for example DNA and proteins. Ideally the position in a gel image corresponds to one or several properties of the molecules, such as size and net charge, but in practise the separation pattern is often warped, that is, geometrically distorted. READ MORE