Computational techniques for analytical chemistry and bioanalysis
by Grootveld, Martin Wilson, Philippe B.
This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate researchers.
Read More ↓Title Statements
- Full title :Computational techniques for analytical chemistry and bioanalysis / edited by Philippe B. Wilson, Martin Grootveld.
Summary
This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate researchers.
Read More ↓Edition Statements
- Publication Date:2020.
Publication Statements
- Publisher(s):Royal Society of Chemistry
- Place of Publication:Cambridge
- Language:eng
- Publication Date:2020.
The Physical Object
- Description:1 online resource
Edition Identifiers
- ISBN:9781788019859, 1788019857, 1788015886, 9781788015882
- oclc:on1228889816
- Dewey Decimal:543.00285
Table of Contents
Cover -- Dedication -- Preface -- Contents -- Chapter 1 Univariate and Multivariate Statistical Approaches to the Analysis and Interpretation of NMR-based Metabolomics Datasets of Increasing Complexity -- 1.1 Introduction -- 1.2 Brief Introduction to Metabolomics -- 1.3 Experimental Design for NMR Investigations -- 1.4 Preprocessing of Metabolomics Data -- 1.4.1 Spectral Prediction in Positive Signal Identification -- 1.4.2 Statistical Methodologies Applied to NMR Spectra -- 1.5 Univariate Data Analysis -- 1.5.1 ANOVA, ANCOVA and Their Relationships to ASCA -- 1.6 Multivariate Analysis
1.6.1 Principal Component Analysis -- 1.6.2 Partial-least Squares Discriminatory Analysis -- 1.6.2.1 Validation Methods -- 1.6.2.2 Canonical Correlation Analysis -- 1.6.2.3 Extended Canonical Variate Analysis -- 1.7 Metabolic Pathway Analysis -- 1.8 Further Important Considerations: Accuracy and Precision -- 1.9 Multivariate Power Calculations -- 1.10 Future Scope of Metabolomics Research -- 1.11 Conclusions -- List of Abbreviations -- Acknowledgments -- References -- Chapter 2 Recent Advances in Computational NMR Spectrum Prediction -- 2.1 Introduction and Scope
2.2 Calculation of NMR Chemical Sh…
Subjects
Writers
No reviews yet. Be the first to rate this work.
Related Works
more →
Notes on statistics and data quality for analytical chemists
Thompson, Michael,, Ph. D.
Notes on statistics and data quality for analytical chemists
Thompson, Michael,, Ph. D.
Rate & Review