Computers and drug discovery : construction and data mining of chemical and biological databases
Kazius, J.
Citation
Kazius, J. (2008, June 11). Computers and drug discovery : construction and data mining of chemical and biological databases. Retrieved from https://hdl.handle.net/1887/12954
Version: Corrected Publisher’s Version
License: Licence agreement concerning inclusion of doctoral thesis in the Institutional Repository of the University of Leiden
Downloaded from: https://hdl.handle.net/1887/12954
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Computers and drug discovery:
construction and data mining of chemical
and biological databases
Computers and drug discovery:
construction and data mining of chemical and biological databases
Proefschrift
ter verkrijging van
de graad van Doctor aan de Universiteit Leiden
op gezag van Rector Magnificus prof.mr. P.F. van der Heijden, volgens besluit van het College voor Promoties
te verdedigen op woensdag 11 juni 2008 klokke 16.15 uur
door
Jeroen Kazius geboren te Utrecht
in 1979
Promotiecommissie
Promotor: Prof. Dr. A. P. IJzerman Prof. Dr. J. N. Kok
Referent: Prof. Dr. P. D. Grootenhuis
Overige leden: Prof. Dr. Th. W. Bäck
Prof. Dr. M. Danhof
Prof. Dr. B. van de Water
Prof. Dr. Th. Hankemeier
Prof. Dr. G. Vriend
Van dit proefschrift is ook een handelseditie verschenen bij uitgeverij Jeroen Kazius te Leiden onder ISBN / EAN 978-90-9022964-5
Copyright © 2003-2008 Jeroen Kazius
All right reserved, including the right to reproduce this thesis, or portions thereof, in any form.
The Nederlandse organisatie van Wetenschappelijk Onderzoek (NWO) is gratefully acknowledged for financially funding the research described in this thesis through project number 050.50.212.
The research described in this thesis was performed at the Division of Medicinal Chemistry of the Leiden/Amsterdam Center for Drug Research, Leiden University, Leiden, the
Netherlands.
Contents
Chapter 1 Introduction 1
Chapter 2 Natural Variants and their Impact on G Protein-Coupled Receptors
Definitions used in Chapters 2, 3 and 4
17 18
Chapter 3 GPCR NaVa Database: Natural Variants in Human G Protein-Coupled Receptors
29
Chapter 4 Spread and Disease Potential of Natural Variants in G Protein-Coupled Receptors
47
Chapter 5 Data Mining for Toxicity Prediction Definitions used in Chapters 5, 6 and 7
67 68
Chapter 6 Derivation and Validation of Toxicophores for Mutagenicity Prediction
91
Chapter 7 Substructure Mining Using Elaborate Chemical Representation
119
Chapter 8 General Conclusions and Perspectives 141
Summary 149
Samenvatting 153
Curriculum Vitae 157
List of publications 159
Acknowledgements 161
