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Hosoya, Haruo – Journal of Chemical Documentation, 1972
Although the topological index does not uniquely correspond to the individual structure of a graph, it roughly represents the topological nature of the graph. Examples are given for using the topological index as a first sorting device for coding and retrieving structures, especially of fused polycyclic systems. (14 references) (Author/NH)
Descriptors: Chemistry, Graphs, Indexes, Information Retrieval
Peer reviewed Peer reviewed
Kudo, Yoshihiro; And Others – Journal of Chemical Documentation, 1973
Chemical structures can be expressed unambiguously with both the atom connectivity matrix and its characteristic polynomial. (8 references) (Author)
Descriptors: Atomic Structure, Chemical Bonding, Chemistry, Molecular Structure
Peer reviewed Peer reviewed
Milne, Margaret; And Others – Journal of Chemical Documentation, 1972
The TSS (Topological Screens System) for substructure search was applied to the CAS Registry file making it searchable on-line. The TSS screens and the use of the screen indexes are described. Statistics on screen assignment are provided, and the strengths and weaknesses of the system are discussed. (Author/NH)
Descriptors: Chemistry, Electronic Data Processing, Indexes (Locaters), Information Retrieval