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Grundgerüsterkennung von Diterpenen aus 13C-NMR Daten mit Methoden der Künstlichen Intelligenz

Grundgerüsterkennung von Diterpenen aus 13C-NMR Daten mit Methoden der Künstlichen Intelligenz

          
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About the Book

Inhaltsangabe: Problemstellung: Die Erforschung und Bekämpfung humaner und pflanzlicher Krankheiten war schon immer ein wesentlicher Bestandteil von Wissenschaft und Forschung. Die Forschung konzentriert sich hierbei neuerdings verstärkt auf natürliche Strukturen, wie sie in Mikroorganismen, marinen Organismen und Pflanzen vorkommen. Die Strukturen in Naturstoffen sind sehr komplex. Die Strukturaufklärung erweist sich als sehr zeitaufwendig und bleibt meistens den Experten vorbehalten. Aufgrund dessen besteht Bedarf für eine Automatisierung der Strukturaufklärung. Zur Automatisierung der Strukturaufklärung, wurde von der Firma AnalytiConi ein Projekt beim Bundesministerium für Bildung, Wissenschaft, Forschung und Technik (BMBF) beantragt. Bereits seit den siebziger Jahren werden Ansätze verfolgt, die Strukturaufklärung mit Hilfe entsprechender Software teilweise zu automatisieren. Um die hohe Anzahl kombinatorisch denkbarer Strukturen auf die biogenetisch sinnvollen Strukturen reduzieren zu können, wird das Konzept der "biogeneseunterstützten Strukturaufklärung" herangezogen. Naturstoffe zeichnen sich durch ihren biogenetisch logischen Aufbau des Kohlenstoffgerüstes aus. Der hier verfolgte Ansatz beschränkt sich im Vergleich zu früheren Ansätzen auf Naturstoffe. In dem beantragten Projekt zur Strukturaufklärung kommen die folgenden modernen Techniken aus dem Bereich der Künstlichen Intelligenz zum Einsatz kommen: assoziatives Lernen (überwachtes Lernen), entdeckendes Lernen (nicht überwachtes Lernen), neuranale Netze. Gang der Untersuchung: Der Inhalt der Arbeit ist in fünf Kapitel untergliedert: Kapitel 1 erläutert Projektstand und Projektziel, Kapitel 2 gibt einen Ausblick auf die chemischen Hintergründe, Kapitel 3 befasst sich mit einem Suchproblem graphentheoretischer Art. Aus den bekannten Strukturen verschiedener Grundgerüste und der vorgegebenen Struktur eines Moleküls soll erkannt werden, um welches Grundgerüst es sich handelt. Die Kapitel 4 und 5 befa


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Product Details
  • ISBN-13: 9783838603391
  • Publisher: Diplom.de
  • Binding: Paperback
  • Language: German
  • Returnable: N
  • Spine Width: 6 mm
  • Width: 148 mm
  • ISBN-10: 3838603397
  • Publisher Date: 26 Aug 1997
  • Height: 210 mm
  • No of Pages: 92
  • Series Title: German
  • Weight: 131 gr


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Grundgerüsterkennung von Diterpenen aus 13C-NMR Daten mit Methoden der Künstlichen Intelligenz
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