1. Combinatorial chemistry

   • C. von dem Bussche-Hünnefeld
   • F. Balkenhohl
   • C. Zechel

   Lecture Pages: 3 - 9

2. MS-Pep: a computer program for the interpretation of mass spectra of peptide libraries

   • S. Kienle
   • K.-H. Wiesmüller
   • G. Jung

   Lecture Pages: 10 - 14

3. Label free binding assay with spectroscopic detection for pharmaceutical screening

   • M. Rothmund
   • Armin Schütz
   • Dieter Gräfe

   Lecture Pages: 15 - 22

4. MOLecular structure GENeration with MOLGEN, new features and future developments

   • C. Benecke
   • T. Grüner
   • T. Wieland

   LECTURE Pages: 23 - 32

5. CSEARCH-STEREO: A new generation of NMR database systems allowing three-dimensional spectrum prediction

   • V. Schütz
   • V. Purtuc
   • W. Robien

   LECTURE Pages: 33 - 41

6. Case studies of CSEARCH supported structure elucidation strategies: lupeol and a new germacrane derivative

   • Christoph Seger
   • Brigitte Jandl
   • Harald Greger

   Lecture Pages: 42 - 45

7. Modern strategies for PC-supported spectral analysis of 1D NMR data

   • U. Weber
   • A. Germanus
   • H. Thiele

   LECTURE Pages: 46 - 49

8. Finding the 3D structure of a molecule in its IR spectrum

   • J. Gasteiger
   • J. Schuur
   • V. Steinhauer

   LECTURE Pages: 50 - 55

9. Derivation of substructures from infrared band shapes by fuzzy logic and partial cross correlation functions

   • F. Ehrentreich

   LECTURE Pages: 56 - 60

10. Application of factor analysis in EDXRF

    • K. Molt
    • R. Schramm

    ORIGINAL PAPER Pages: 61 - 66

11. How safe are NIR-library search systems? Information-theoretical and practical aspects

    • Karl Molt

    Lecture Pages: 67 - 73

12. In-line process monitoring on polymer melts by NIR-spectroscopy

    • D. Fischer
    • T. Bayer
    • M. Otto

    Lecture Pages: 74 - 77

13. Enhancing calibration models for non-invasive near-infrared spectroscopical blood glucose determination

    • C. Fischbacher
    • K.-U. Jagemann
    • J. Schüler

    Lecture Pages: 78 - 82

14. Ex-vivo determination of blood glucose by microdialysis in combination with infrared attenuated total reflection spectroscopy

    • H. M. Heise
    • A. Bittner
    • F. A. Gries

    Lecture Pages: 83 - 87

15. Estimation of partition coefficients of organic compounds: local database modeling with uniform-length structure descriptors

    • Martin Junghans
    • E. Pretsch

    Lecture Pages: 88 - 92

16. Rapid and reliable spectral variable selection for statistical calibrations based on PLS-regression vector choices

    • H. M. Heise
    • A. Bittner

    Lecture Pages: 93 - 99

17. Classical and modern algorithms for the evaluation of data from sensor-arrays

    • J. Seemann
    • F.-R. Rapp
    • G. Gauglitz

    Lecture Pages: 100 - 106

18. Enantioseparation of four-membered rings by gas chromatography; an overview

    • B. Koppenhoefer
    • Ulrich Epperlein
    • Marc Schwierskott

    Lecture Pages: 107 - 114

19. Intermolecular potentials and force constants from ab initio energies – Application to the N-H…O=C hydrogen bonds in formamide dimers

    • P. Bleckmann
    • P. Breitenbach
    • C. Schwittek

    Lecture Pages: 115 - 120