Substructure files, hierarchically organized

Computer generation, storage and retrieval of substructures is greatly facilitated, when the mathematical model of structural chemistry is employed to generate a hierarchically organized substructure file in a systematic fashion. Such hierarchical ordering is not only a prerequisite in avoiding duplication of 

ACS Symposium Series Ameriean Chemieal Society Washington, DC, 1977. 

With such a file structure queries take the form of paths within a directed graph and therefore are processed with a minimum of computing effort and extremely short response time. 

Our previous studies in developing CICLOPS, the prototype of a synthetic design program, have now led to a new stage. 

We are now presenting EROS (Elaboration of Reactions for Organic Synthesis) which has matured to the point of becoming a routine tool for the synthetic chemist. 

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We have started the design of a model program to extract irreducible R-matrices from known reactions, to put them into canonical order, and to set the sequence of references in a hierarchical file, that is organized in a similar way as substructure files described in (5.1.3). 

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