
Accession Number : AD0764273
Title : An Algorithm for the Construction of the Graphs of Organic Molecules,
Corporate Author : STANFORD UNIV CALIF DEPT OF COMPUTER SCIENCE
Personal Author(s) : Brown,Harold ; Masinter,Larry
Report Date : MAY 1973
Pagination or Media Count : 27
Abstract : A description and a formal proof of an efficient computer implemented algorithm for the construction of graphs is presented. This algorithm, which is part of a program for the automated analysis of organic compounds, constructs all of the nonisomorphic, connected multigraphs based on a given degree sequence of nodes and which arise from a relatively small 'catolog' of certain canonical graphs. For the graphs of the more common organic molecules, a catolog of most of the canonical graphs is known, and the algorithm can produce all of the distinct valence isomers of these organic molecules. (Author)
Descriptors : (*MOLECULAR STRUCTURE, *COMPUTER PROGRAMMING), ALGORITHMS, GRAPHICS, MATHEMATICAL LOGIC, THEOREMS
Subject Categories : Computer Programming and Software
Computer Hardware
Atomic and Molecular Physics and Spectroscopy
Distribution Statement : APPROVED FOR PUBLIC RELEASE