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Journal of Structural Chemistry

2008 year, number 2

ADJACENCY MATRICES AND CHEMICAL TRANSFORMATION GRAPHS

L.A. Gribov, V. A. Dementiev, I. V. Mikhailov
Keywords: reaction monitoring, adjacency matrix, reaction routes
Pages: 211-214

Abstract

The vast numbers of molecular objects and chemical transformations of a substrate cannot be evaluated even intuitively, which necessitates the development of simple reaction monitoring methods. Here this problem is formulated for the first time, and possible solutions are substantiated.