Computer Graphics and Chemical Structures: Database Management Systems

Overview

Describes computer systems for storage and retrieval of chemical structures and the numeric and textual data associated with them. The first section covers the CAS ONLINE Registry File, including the system's historical background, design, development, and operation, and its techniques for building graphic and generic structures, searching techniques, and options for displaying retrieved records. Included are numerous examples for creating structures, in addition to real computer sessions for search and retrieval. Parts 2, 3, and 4 describe in detail the Molecular Design Limited Systems—CHEMBASE, MACCS-II, REACCS, and CHEMTALK, which have become standard for chemical information systems in industry and academia.