Sökning: "multivariate"

Visar resultat 6 - 10 av 1091 avhandlingar innehållade ordet multivariate.

1. 6. Modelling and prediction of drug transport processes with experimental and calculated molecular properties : A multivariate approach

   Författare :Thomas Österberg; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmacy; FARMACI; PHARMACY; FARMACI; farmaceutisk farmakologi; Pharmaceutical Pharmacology;

   Sammanfattning : Less than 2% of the lead compounds generated by the pharmaceutical industry enter the exploratory drug-development phase, from which point they stand only a 10% chance of becoming a commercial medicine. A large proportion of the compounds fail due to poor biopharmaceutical properties, such as permeability and solubility. LÄS MER

3. 7. Multivariate methods in tablet formulation

   Författare :Jon Gabrielsson; Michael Sjöström; Svante Wold; Torbjörn Lundstedt; Marc Brown; Umeå universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Organic chemistry; PCA; statistical experimental design; multivariate design; PLS; excipients; direct compression; tablet formulation; robustness testing; Organisk kemi; Organic chemistry; Organisk kemi; organisk kemi; Organic Chemistry;

   Sammanfattning : This thesis describes the application of multivariate methods in a novel approach to the formulation of tablets for direct compression. It begins with a brief historical review, followed by a basic introduction to key aspects of tablet formulation and multivariate data analysis. LÄS MER

4. 8. Improving interpretation by orthogonal variation : Multivariate analysis of spectroscopic data

   Författare :Hans Stenlund; Johan Trygg; Tom Fearn; Umeå universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; OPLS; PLS; Multivariate Analysis; Orthogonal variation; Chemometrics; hyperspectral images; FTIR; NIR; spectroscopy; Chemistry; Kemi;

   Sammanfattning : The desire to use the tools and concepts of chemometrics when studying problems in the life sciences, especially biology and medicine, has prompted chemometricians to shift their focus away from their field‘s traditional emphasis on model predictivity and towards the more contemporary objective of optimizing information exchange via model interpretation. The complex data structures that are captured by modern advanced analytical instruments open up new possibilities for extracting information from complex data sets. LÄS MER

5. 9. A multivariate approach to QSAR

   Författare :Sven Hellberg; Umeå universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; QSAR; beta-adrenergic agents; haloalkanes; halogenated anesthetics; peptides; fractional factorial design; multivariate data analysis; principal components PC ; partial least squares PLS ;

   Sammanfattning : Quantitative structure-activity relationships (OSAR) constitute empirical analogy models connecting chemical structure and biological activity. The analogy approach to QSAR assume that the factors important in the biological system also are contained in chemical model systems.The development of a QSAR can be divided into subproblems:1. LÄS MER

7. 10. Multivariate design of molecular docking experiments : An investigation of protein-ligand interactions

   Författare :David Andersson; Anna Linusson Jonsson; Gabriele Cruciani; Umeå universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Molecular docking; chemometrics; multivariate analysis; principal component analysis; PCA; design of experiments; DoE; partial least-square projections to latent structures; PLS; scoring functions; ligand-binding cavity; major histocompatibility complex; MHC; glycopeptide; T-cell.; Pharmaceutical chemistry; Läkemedelskemi; datorlingvistik; computational linguistics;

   Sammanfattning : To be able to make informed descicions regarding the research of new drug molecules (ligands), it is crucial to have access to information regarding the chemical interaction between the drug and its biological target (protein). Computer-based methods have a given role in drug research today and, by using methods such as molecular docking, it is possible to investigate the way in which ligands and proteins interact. LÄS MER