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Tziotis, D.

Machine learning and network analysis using mathematical optimisation in mass spectrometry bioinformatics.

Machine Learning und Netzwerkanalyse mittels mathematischer Optimierung in massenspektrometrischer Bioinformatik.

München, Technische Universität, Fakultät Wissenschaftszentrum Weihenstephan, Diss., 2014, 199 S.

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In this work we develop and present a set of novel computational techniques which address the problems of ICR-FT-MS data mining. The described methodology focuses mainly on two scopes of biogeochemical research, namely the analysis of natural organic matter (NOM) and metabolomics. The development of our approaches focuses on the fields of graph theory, machine learning, and combinatorics. Detailed results of our methods are produced, presented, and evaluated within their corresponding sections.

In dieser Arbeit wird ein Set neuer rechnerischer Techniken, welches ICR-FT-MS data mining Probleme adressiert, erarbeitet. Die beschriebenen Methoden konzentrieren sich auf die Analyse natürlicher organischer Materie (NOM) und Metabolomik. Die Entwickelten Ansätze fussen in den Disziplinen der Graphentheorie, Machine Learning und Kombinatorik. Resultate werden in den einzelnen Sektionen detailliert erarbeitet, präsentiert und evaluiert.