关键词：
Chemical data
Information retrieval systems
Information storage
摘要：
A rational basis for discussion of issues relating to the storage and retrieval of generic chemical structures is developed in this paper and those which follow. It rests on well-known logical and linguistic foundations, and seeks to establish a consistent conceptual framework for considering generic structures as they occur in patents and as represented for storage and retrieval in information systems. The syntax, semantics, and pragmatics of chemical structure languages, in general, are described, together with the meaning-relations between the notation, the intension, and the extension of a structural expression. Development of this basis provides a framework for considering issues of the representation of generic structures in formally defined languages, such as GENSAL, together with the process of translation from chemists' language into GENSAL, the surface language, and of further translation into other internal representations, including the ECTR (Extended Connection Table Representation), and ring, fragment, and reduced graph screens for processing and searching. The question of the definiteness of structure representations and its consequences for searching are discussed, together with formal properties of structural expressions in the GENSAL system, and the applicability of a variety of algorithms. Finally, the relations between query and file structure languages are described.
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