MS-Pep: a computer program for the interpretation of mass spectra of peptide libraries S. KienleK.-H. WiesmüllerG. Jung Lecture Pages: 10 - 14
Label free binding assay with spectroscopic detection for pharmaceutical screening M. RothmundArmin SchützDieter Gräfe Lecture Pages: 15 - 22
MOLecular structure GENeration with MOLGEN, new features and future developments C. BeneckeT. GrünerT. Wieland LECTURE Pages: 23 - 32
CSEARCH-STEREO: A new generation of NMR database systems allowing three-dimensional spectrum prediction V. SchützV. PurtucW. Robien LECTURE Pages: 33 - 41
Case studies of CSEARCH supported structure elucidation strategies: lupeol and a new germacrane derivative Christoph SegerBrigitte JandlHarald Greger Lecture Pages: 42 - 45
Modern strategies for PC-supported spectral analysis of 1D NMR data U. WeberA. GermanusH. Thiele LECTURE Pages: 46 - 49
Finding the 3D structure of a molecule in its IR spectrum J. GasteigerJ. SchuurV. Steinhauer LECTURE Pages: 50 - 55
Derivation of substructures from infrared band shapes by fuzzy logic and partial cross correlation functions F. Ehrentreich LECTURE Pages: 56 - 60
How safe are NIR-library search systems? Information-theoretical and practical aspects Karl Molt Lecture Pages: 67 - 73
In-line process monitoring on polymer melts by NIR-spectroscopy D. FischerT. BayerM. Otto Lecture Pages: 74 - 77
Enhancing calibration models for non-invasive near-infrared spectroscopical blood glucose determination C. FischbacherK.-U. JagemannJ. Schüler Lecture Pages: 78 - 82
Ex-vivo determination of blood glucose by microdialysis in combination with infrared attenuated total reflection spectroscopy H. M. HeiseA. BittnerF. A. Gries Lecture Pages: 83 - 87
Estimation of partition coefficients of organic compounds: local database modeling with uniform-length structure descriptors Martin JunghansE. Pretsch Lecture Pages: 88 - 92
Rapid and reliable spectral variable selection for statistical calibrations based on PLS-regression vector choices H. M. HeiseA. Bittner Lecture Pages: 93 - 99
Classical and modern algorithms for the evaluation of data from sensor-arrays J. SeemannF.-R. RappG. Gauglitz Lecture Pages: 100 - 106
Enantioseparation of four-membered rings by gas chromatography; an overview B. KoppenhoeferUlrich EpperleinMarc Schwierskott Lecture Pages: 107 - 114
Intermolecular potentials and force constants from ab initio energies – Application to the N-H…O=C hydrogen bonds in formamide dimers P. BleckmannP. BreitenbachC. Schwittek Lecture Pages: 115 - 120
