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.
Sprache
Verlagsort
Zielgruppe
Illustrationen
tab., fig.
line figures, tables
Maße
Höhe: 234 mm
Breite: 156 mm
ISBN-13
978-0-19-855728-9 (9780198557289)
Copyright in bibliographic data is held by Nielsen Book Services Limited or its licensors: all rights reserved.
Schweitzer Klassifikation
1. Chemical properties and chemical structure; 2. Experimental design - compound and parameter selection; 3. Data pre-treatment; 4. Data display; 5. Unsupervised learning; 6. Regression analysis; 7. Supervised learning; 8. Treatment of multiple dependent variables; 9. Artificial intelligence; Appendix 1: Software; Appendix 2: List of abbreviations