QSAR: Hansch analysis and related approaches

Hugo Kubinyi352730035X, 9783527300358, 1560817682, 9781560817680, 352730035X-:

Finding the new remedy for a certain disease: an inspired goal. QSAR, an invaluable tool in drug design, aids scientists to attain this aim. This book is a long-awaited comprehensive text to QSAR and related approaches. It provides a practice-oriented introduction to the theory, methods and analyses for QSAR relationships, including modelling-based and 3D approaches. Hugo Kubinyi is a leading expert in QSAR. Readers will benefit from the author’s 20 years of practical experience, from his careful calculations and recalculations of thousands of QSAR equations. Among the topics covered are: – physiocochemical parameters – quantitative models – statistical methods – Hansch analysis – Free Wilson analysis – 3D-QSAR approaches The book can readily be used as a textbook due to its high didactic value and numerous examples (over 200 equations and 1100 references).

---

Table of contents :
Cover Page……Page 1
Title: QSAR: Hansch Analysis and Related Approaches……Page 4
ISBN 1560817682……Page 5
Preface……Page 7
A Personal Foreword……Page 8
Content (with page links)……Page 10
1. Introduction……Page 12
2. Biological Data. The Additivity of Group Contributions……Page 26
3. Parameters……Page 32
4. Quantitative Models……Page 68
5. Statistical Methods……Page 102
6. Design of Test Series in QSAR……Page 120
7. Applications of Hansch Analysis……Page 126
8. Applications of Free Wilson Analysis and Related Models……Page 150
9. 3D QSAR Approaches……Page 160
10. Summary and Conclusions……Page 190
References……Page 194
Numbers, A……Page 222
B……Page 224
C……Page 226
D……Page 229
E……Page 231
F……Page 232
G……Page 233
H……Page 234
I……Page 235
L……Page 236
M……Page 237
N……Page 239
O,P……Page 241
R……Page 245
S……Page 247
T……Page 249
U……Page 250
X,Y,Z……Page 251