On the Recognition of Composed Systems of Stereocenters in Molecular Graph Theory by Wreath Products

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概要

• 論文の詳細を見る

• We are going to demonstrate how group theory can be used for the detection, classification and validation of systems of related stereo centers in molecules. At the core of the formalism, which is suitable for computer programming and has been tested against ten million organic compounds, lies an analysis of the transformational properties of the molecule in terms of the action of those symmetry operations that conform to its graph theoretical structure while possibly modifying its stereochemical properties.

• 日本コンピュータ化学会の論文
• 2007-09-15

著者

• Gunther Bernd

  Beilstein-institut

• ZUGGE Jochen

  Beilstein-Institut

関連論文

• On the Recognition of Composed Systems of Stereocenters in Molecular Graph Theory by Wreath Products

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