Data Analysis for Chemists
Applications to QSAR and Chemical Product Design
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38 377 Ft
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Product details:
- Publisher Oxford University Press
- Date of Publication 23 November 1995
- Number of Volumes laminated boards
- ISBN 9780198557289
- Binding Hardback
- No. of pages256 pages
- Size 234x156x19 mm
- Weight 528 g
- Language English
- Illustrations line figures, tables 0
Categories
Short description:
This book describes and explains the most common methods of data analysis used in chemistry, particularly in the design of pharmaceuticals and agrochemicals. It does not stress statistical theory but provides chemists and other scientists with practical guidance on how to use the methods, interpret results, and avoid pitfalls.
MoreLong description:
Most chemists who wish to interpret and analyse data want to know how to use analytical techniques but are not concerned with the details of statistical theory. This practical guide provides just the information they need, and gives them the necessary tools to use analytical methods effectively, interpret results, and avoid pitfalls.
The most common mathematical and statistical methods used to analyse chemical data are described and explained through the use of a wide range of examples. These are drawn particularly from pharmaceutical and agrochemical design, with emphasis placed on the generation of quantitative structure-activity relationships. By including multivariate methodology, the book shows chemists how to use and interpret important analytical techniques which are usually reserved for statisticians.
This is a "how to" book written for chemists and other scientists who do not need to know the details of statistical theory but who want to use analytical methods, interpret results, and avoid pitfalls.
Table of Contents:
Chemical properties and chemical structure
Experimental design - compound and parameter selection
Data pre-treatment
Data display
Unsupervised learning
Regression analysis
Supervised learning
Treatment of multiple dependent variables
Artificial intelligence
Appendix 1: Software
Appendix 2: List of abbreviations
