Chemometric methods in molecular design 3527300449, 9783527300440
The statistical analysis of experimental and theoretical data lies at the heart of modern drug design. This practice-ori
235 114 212KB
English Pages 369 Year 1995
Table of contents :
Chemometric Methods in Molecular Design......Page 1
Methods and Principles in Medicinal Chemistry......Page 2
Copyright......Page 4
Preface......Page 5
A Personal Foreword......Page 6
List of Contributors......Page 8
Contents......Page 11
1 Introduction......Page 18
2 Molecular Concepts......Page 31
3 Experimental Design in Synthesis Planning and Structure-Property Correlations......Page 64
4 Multivariate Data Analysis of Chemical and Biological Data......Page 128
5 Statistical Validation of QSAR Results......Page 319
Index......Page 349
Chemometric Methods in Molecular Design......Page 1
Methods and Principles in Medicinal Chemistry......Page 2
Copyright......Page 4
Preface......Page 5
A Personal Foreword......Page 6
List of Contributors......Page 8
Contents......Page 11
1 Introduction......Page 18
2 Molecular Concepts......Page 31
3 Experimental Design in Synthesis Planning and Structure-Property Correlations......Page 64
4 Multivariate Data Analysis of Chemical and Biological Data......Page 128
5 Statistical Validation of QSAR Results......Page 319
Index......Page 349
- Author / Uploaded
- Han van de Waterbeemd
- Hendrik Timmerman
- Raimund Mannhold
- Povl Krogsgaard-Larsen
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