Machine learning techniques applied to chemotaxonomy and ligand-based virtual screening Dissertation Dimitar P. Hristozov 2007 Machine learning techniques applied to chemotaxonomy and ligand-based virtual screening Den Naturwissenschaftlichen Fakultäten der Friedrich-Alexander-Universität Erlangen-Nürnberg zur Erlangung des Doktorgrades vorgelegt von Dimitar P. Hristozov aus Plovdiv/Bulgarien Als Dissertation genehmigt von den Naturwissenschaftlichen Fakultäten der Universität Erlangen-Nürnberg Tag der mündlichen Prüfung: 27. September 2007 Vorsitzender der Promotionskommission: Prof. Dr. E. Bänsch Erstberichterstatter: Prof. Dr. J. Gasteiger Zweitberichterstatter: Prof. Dr. T. Clark This work would not have been possible without the help, support, and advice of my supervisor Prof. Dr. Johann Gasteiger whom I would like to thank for giving me the opportunity to work on this fascinating subject and for the support and inspiring discussions during the years in his group. I would like to thank the coauthors of the publications originating from this work. Prof. Dr. Fernando Batista Da Costa from the University of São Paulo, Ribeirão Preto, SP, Brazil – Eu necessito a página inteira dizer tudo que eu quero, assim que eu direi apenas agradeço-o muito para tudo - começando com ciência e terminando com cerveja (ou o versa vice). Prof. Dr. Tudor I.