Chem. J. Chinese Universities ›› 1996, Vol. 17 ›› Issue (9): 1372.

• Articles • Previous Articles     Next Articles

On Characterization of Organic Structures──A Highly Discriminating Molecular Topological Index

HU Chang-Yu, XU Lu   

  1. Applied Spectroscopy Laboratory , Changchun Institute of Applied Chemistry, Academia Sinica, Changchun, 130022
  • Received:1995-09-12 Online:1996-09-24 Published:1996-09-24

Abstract: A new molecular topological index, EATIis proposed based on the extended adjacency matrix.It has a hitherto unheard of power of discrimination and can be applied to discriminate various kinds of organic compounds, such as structures containing heteroatoms,etc.Thus EATI might be possibly used as supplementary reference for CAS Registry Numbers for structure documentation.

Key words: Extenden adjacency matrix, Topological index, Structure documentation

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