Chirality Molecules and Chiral Topological Indices

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Chirality Molecules and Chiral Topological Indices

WANG Jun, XU Lu

Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China

Received:2006-01-24 Revised:1900-01-01 Online:2007-01-10 Published:2007-01-10
Contact: XU Lu

Abstract

Abstract: In this paper, the symmetry of 28 racemoids(unusual amino acids), such as symmetrical face, symmetrical node and axis, were recognized by using expert system of structure elucidation of organic compound, and the configurations of those compounds were recognized by using the program developed by our laboratory. On the basis, with chiral topological indices, the elution order with HPLC were performed by using Fisher analysis and artificial neural network for enantiomers of these compounds. Artificial neural network gave out a better result than that obtained by using Fisher analysis.

Key words: Chiral molecule, Chiral topological indice, Configuration, Chiral center, Fisher analysis, Artificial neural network

CLC Number:

O652.7

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WANG Jun, XU Lu. Chirality Molecules and Chiral Topological Indices[J]. Chem. J. Chinese Universities, doi: .

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Chirality Molecules and Chiral Topological Indices

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