Sökning: "chemometrics"

Visar resultat 21 - 25 av 50 avhandlingar innehållade ordet chemometrics.

  1. 21. Managing and Exploring Large Data Sets Generated by Liquid Separation - Mass Spectrometry

    Författare :Daniel Bäckström; Per Sjöberg; Rolf Danielsson; Thomas Moritz; Uppsala universitet; []
    Nyckelord :Analytical chemistry; liquid chromatography; capillary electrophoresis; capillary electrochromatography; mass spectrometry; electro spray ionization; chemometrics; multivariate data analysis; peptide; biomarkers; fingerprints; PCA; alignment; data compression; ANOVA; target correlation; data management; Analytisk kemi;

    Sammanfattning : A trend in natural science and especially in analytical chemistry is the increasing need for analysis of a large number of complex samples with low analyte concentrations. Biological samples (urine, blood, plasma, cerebral spinal fluid, tissue etc. LÄS MER

  3. 22. Application of surface enhanced Raman spectroscopy and multivariate evaluation techniques on biological samples

    Författare :Charlotte Eliasson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; RS; PLS; multivariate evaluation; Raman spectroscopy; partial least squares; PCA; principal component analysis; SERS; surface-enhanced Raman Spectroscopy; chemometrics; doxorubicin;

    Sammanfattning : .... LÄS MER

  4. 23. Multivariate processing and modelling of hyphenated metabolite data

    Författare :Pär Jonsson; Michael Sjöström; Royston Goodacre; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemometrics; Curve Resolution; GC MS; LC MS; Metabolomics; Metabonomics; Multivariate Analysis and Multivariate Curve Resolution.; Organic chemistry; Organisk kemi;

    Sammanfattning : One trend in the ‘omics’ sciences is the generation of increasing amounts of data, describing complex biological samples. To cope with this and facilitate progress towards reliable diagnostic tools, it is crucial to develop methods for extracting representative and predictive information. LÄS MER

  5. 24. Development of Proteochemometrics—A New Approach for Analysis of Protein-Ligand Interactions

    Författare :Maris Lapins; Jarl Wikberg; Johan Gottfries; Uppsala universitet; []
    Nyckelord :Pharmaceutical pharmacology; chemometrics; QSAR; G-protein coupled receptors; Melanocortin receptors; protein-ligand interactions; Farmaceutisk farmakologi;

    Sammanfattning : A new approach to analysis of protein-ligand interactions, termed proteochemometrics, has been developed. Contrary to traditional quantitative structure-activity relationship (QSAR) methods that aim to correlate a description of ligands to their interactions with one particular target protein, proteochemometrics considers many targets simultaneously. LÄS MER

  7. 25. Bilinear Regression and Second Order Calibration

    Författare :Marie Linder; Pieter Kroonenberg; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; chemometrics; calibration; multivariate; hyphenated methods; matrix data; bilinear model; least squares; singular value decomposition; generalized rank annihilation; trilinear decomposition; parallel factor analysis; principal components regression; partial least squares; prediction; matematisk statistik; Mathematical Statistics;

    Sammanfattning : We consider calibration of second-order (or "hyphenated") instruments for chemical analysis. Many such instruments generate bilinear two-way (matrix) type data for each specimen. The bilinear regression model is to be estimated from a number of specimens of known composition. LÄS MER