Chemometrics Tutorials - 1st Edition - ISBN: 9780444888372, 9780080934167

Chemometrics Tutorials

1st Edition

Collected from Chemometrics and Intelligent Laboratory Systems - An International Journal, Volumes 1-5

Editors: R.G. Brereton R.E. Dessy D.L. Massart C.H. Spiegelman P.K. Hopke W. Wegscheider
Paperback ISBN: 9780444888372
eBook ISBN: 9780080934167
Imprint: Elsevier Science
Published Date: 12th October 1990
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Description

Computers in the laboratory. 1. Scientific word processing (R.E. Dessy). 2. The LIMS infrastructure (R.D. McDowall, J.C. Pearce and G.S. Murkitt). 3. Scientific programming with GKS: advantages and disadvantages (E. Flerackers). Expert systems. 4. Dendral and Meta-Dendral - the myth and the reality (N.A.B. Gray). On Gray's interpretation of the Dendral project and programs: myth or mythunderstanding? (B.G. Buchanan, E.A. Feigenbaum and J. Lederberg). Response to comments by Buchanan, Feigenbaum and Lederberg (N.A.B. Gray). 5. Expert systems in synthesis planning: a user's view of the LHASA program (T.V. Lee). 6. PROLOG for chemists. Part 1 (G.J. Kleywegt, H.-J. Luinge and B.-J.P. Schuman). 7. PROLOG for chemists. Part 2 (G.J. Kleywegt, H.-J. Luinge and B.-J.P. Schuman). Experimental design and optimization. 8. Practical exploratory experimental designs (E. Morgan, K.W. Burton and P.A. Church). 9. Optimisation via Simplex. Part 1: Background, definitions and a simple application (K.W.C. Burton and G. Nickless). 10. Chemometrics and method development in high-performance liquid chromatography. Part 1: Introduction (J.C. Berridge). 11. Chemometrics and method development in high-performance liquid chromatography. Part. 2: Sequential experimental designs (J.C. Berridge). Signal processing, time series and continuous processes. 12. Fourier transforms: use, theory and applications to spectroscopic and related data (R.G. Brereton). 13. Dispersion vs. absorption (DISPA): a magic circle for spectroscopic line shape analysis (A.G. Marshall). 14. Sampling theory (G. Kateman). Multivariate and related methods. 15. Principal component analysis (S. Wold, K. Esbensen and P. Geladi). 16. Multivariate data analysis: its methods (M. Mellinger). 17. Correspondence analysis: the method and its application (M. Mellinger). 18. Spectral map analysis: factorial analysis of contrasts, especially from log ratios (P.J. Lewi). 19. Similarities and differences among multivariate display techniques illustrated by Belgian cancer mortality distribution data (A. Thielemans, P.J. Lewi and D.L. Massart). 20. Some fundamental criteria for multivariate correlation methodologies (O.H.J. Christie). 21. Mixture analysis of spectral data by multivariate methods (W. Windig). 22. Interpretation of direct latent-variable projection methods and their aims and use in the analysis of multicomponent spectroscopic and chromatographic data (O.M. Kvalheim). 23. Soft modelling and chemosystematics (N.B. Vogt). 24. Multivariate analysis in geology and geochemistry: an introduction (H.J.B. Birks). 25. Multivariate analysis in geoscience: fads, fallacies and the future (R.A. Reyment). 26. Interpretation of lithogeochemistry using correspondence analysis (M. Mellinger). 27. Multivariate analysis of stratigraphic data in geology: a review (H.J.B. Birks). Fuzzy methods. 28. Fuzzy theory explained (M. Otto). Author Index. Subject Index.

Table of Contents

Computers in the laboratory. 1. Scientific word processing (R.E. Dessy). 2. The LIMS infrastructure (R.D. McDowall, J.C. Pearce and G.S. Murkitt). 3. Scientific programming with GKS: advantages and disadvantages (E. Flerackers). Expert systems. 4. Dendral and Meta-Dendral - the myth and the reality (N.A.B. Gray). On Gray's interpretation of the Dendral project and programs: myth or mythunderstanding? (B.G. Buchanan, E.A. Feigenbaum and J. Lederberg). Response to comments by Buchanan, Feigenbaum and Lederberg (N.A.B. Gray). 5. Expert systems in synthesis planning: a user's view of the LHASA program (T.V. Lee). 6. PROLOG for chemists. Part 1 (G.J. Kleywegt, H.-J. Luinge and B.-J.P. Schuman). 7. PROLOG for chemists. Part 2 (G.J. Kleywegt, H.-J. Luinge and B.-J.P. Schuman). Experimental design and optimization. 8. Practical exploratory experimental designs (E. Morgan, K.W. Burton and P.A. Church). 9. Optimisation via Simplex. Part 1: Background, definitions and a simple application (K.W.C. Burton and G. Nickless). 10. Chemometrics and method development in high-performance liquid chromatography. Part 1: Introduction (J.C. Berridge). 11. Chemometrics and method development in high-performance liquid chromatography. Part. 2: Sequential experimental designs (J.C. Berridge). Signal processing, time series and continuous processes. 12. Fourier transforms: use, theory and applications to spectroscopic and related data (R.G. Brereton). 13. Dispersion vs. absorption (DISPA): a magic circle for spectroscopic line shape analysis (A.G. Marshall). 14. Sampling theory (G. Kateman). Multivariate and related methods. 15. Principal component analysis (S. Wold, K. Esbensen and P. Geladi). 16. Multivariate data analysis: its methods (M. Mellinger). 17. Correspondence analysis: the method and its application (M. Mellinger). 18. Spectral map analysis: factorial analysis of contrasts, especially from log ratios (P.J. Lewi). 19. Similarities and differences among multivariate display techniques illustrated by Belgian cancer mortality distribution data (A. Thielemans, P.J. Lewi and D.L. Massart). 20. Some fundamental criteria for multivariate correlation methodologies (O.H.J. Christie). 21. Mixture analysis of spectral data by multivariate methods (W. Windig). 22. Interpretation of direct latent-variable projection methods and their aims and use in the analysis of multicomponent spectroscopic and chromatographic data (O.M. Kvalheim). 23. Soft modelling and chemosystematics (N.B. Vogt). 24. Multivariate analysis in geology and geochemistry: an introduction (H.J.B. Birks). 25. Multivariate analysis in geoscience: fads, fallacies and the future (R.A. Reyment). 26. Interpretation of lithogeochemistry using correspondence analysis (M. Mellinger). 27. Multivariate analysis of stratigraphic data in geology: a review (H.J.B. Birks). Fuzzy methods. 28. Fuzzy theory explained (M. Otto). Author Index. Subject Index.

Details

Language:
English
Copyright:
© Elsevier Science 1990
Published:
Imprint:
Elsevier Science
eBook ISBN:
9780080934167
Paperback ISBN:
9780444888372

About the Editor

R.G. Brereton

Affiliations and Expertise

University of Bristol, Bristol, UK

R.E. Dessy

Affiliations and Expertise

Virginia Polytechnic Institute, Blacksburg, VA, USA

D.L. Massart

Affiliations and Expertise

Farmaceutisch Instituut, Dienst Farmaceutische en Biomedische Analyse, Vrije Universiteit Brussel, Brussels, Belgium

C.H. Spiegelman

Affiliations and Expertise

Texas A&M University, College Station, TX, USA

P.K. Hopke

Affiliations and Expertise

Clarkson University, Potsdam, NY, USA

W. Wegscheider

Affiliations and Expertise

Universität Graz, Graz, Austria

Reviews

@qu:...a very useful collection of articles, designed to provide instruction and information in an area that is becoming increasingly important to analytical scientists. @source:Analytica Chimica Acta @qu:...an excellent source of information for a wide range of chemometric techniques of great relevance to any analytical chemist. @source:The Analyst