A Chemical Substructure Search System Based on Chemical Abstracts Index Nomenclature

1977 ◽  
Vol 17 (4) ◽  
pp. 212-219 ◽  
Author(s):  
Ronald G. Dunn ◽  
William Fisanick ◽  
Antonio Zamora
1977 ◽  
Vol 17 (3) ◽  
pp. 157-163 ◽  
Author(s):  
R. J. Feldmann ◽  
G. W. A. Milne ◽  
S. R. Heller ◽  
A. Fein ◽  
J. A. Miller ◽  
...  

1989 ◽  
Vol 15 (4-5) ◽  
pp. 211-222 ◽  
Author(s):  
Janey K. Cringean ◽  
Michael F. Lynch

Reduced chemical graphs are descriptions of chemical structures which summarize certain structural features, for instance, the ring or chain nature of components, and conserve certain topological relationships. They have proved valuable in representing and searching generic chemical structure informa tion. The generation of all subgraphs of one type of reduced chemical graph and their use as screens for substructure searching of databases of specific chemical structures are de scribed. The subgraphs have the potential to provide a single key for each substructure search query which comprises a single connected fragment, with possible advantages in an inverted file substructure search system. The methods and costs of generating the subgraphs, and their effectiveness in search, are assessed.


Author(s):  
К. Жукова ◽  
K. Zhukova ◽  
С. Ляшева ◽  
S. Lyasheva ◽  
Михаил Шлеймович ◽  
...  
Keyword(s):  

1985 ◽  
Vol 10 (2) ◽  
pp. 79-86 ◽  
Author(s):  
Anne Costigan ◽  
Frances E. Wood ◽  
David Bawden

A comparative evaluation of three implementations of a large databank, the NIOSH Registry of Toxic Effects of Chem ical Substances, has been carried out. The three implementa tions are: a printed index, a text searching computer system, and a computerised chemical databank system, with substruc ture searching facilities. Seven test queries were used, with the aim of drawing conclusions of general relevance to chemical databank searching. The computer systems were shown to have advantages over printed indexes for several of the queries, including those involving an element of browsing. Substructure search facilities were especially advantageous. Aspects of indexing of data present, and the criteria for inclusion of types of data, were also highlighted.


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