806629 VO Quantitative Structure-Property Relationships (2005S)
Quantitative Structure-Property Relationships and their Application in Separation Science
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Seminarraum d. Inst. f. Analyt. Chemie, n.Ü., Vorbesprechung: 02.03.2005, 17.00 Uhr Seminarr. d. Inst. f. Analyt.Chem.
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Vertraut machen mit dem Prinzip der Quant. Struktur-Eigenschaftsbeziehungen
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F211,F400,LA-Ch232
Last modified: Fr 31.08.2018 09:01
Principles of Quantitative Structure-Property Relationships
Quantitative Structure-Activity Relationships (QSAR): Ligand-receptor interactions, structural descriptors, models (Hansch, Free Wilson, non-linear models), statistical tests (regression analysis, principal component analysis, partial least squares in latent variables), stat. significance and validity of QSAR equations, design of test series, applications of Hansch analysis, applications of Free Wilson analysis, 3D-QSAR, comparative molecular field analysis (CoMFA), comparative molecular similarity analysis (CoMSIA)
Quantitative Structure-Retention Relationships (QSRR): Deriving lipophilicity measures by RP-HPLC (log kW, j0-scale, CHI values), immobilized artificial membrane chromatography, additivity of group contributions in RP-HPLC, linear solvation energy realtionships, lipophilicity measure from micellar electrokinetic chromatography, quantitative structure-enantioselective retention relationships
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