A REVIEW OF SELECTED METHODS OF MACHINE MANIPULATION OF CHEMICAL STRUCTURES,
Abstract
Selected methods for machine manipulation of chemical structure formulae are discussed and reviewed in light of possible application to the U. S. Army Chemical Information Data System. The respective techniques and computer algorithms developed for input data preparation, structure partitioning, generic screening, canonical ordering, file organization, identity searches, and substructure searching based on linear notations and topological representations of the chemical structure diagram or graphs are, in general, the subjects discussed for the selected chemical reference and information retrieval systems being developed at interviewed companies for CDC, Burroughs, and IBM computer equipment. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 01, 1964
- Accession Number
- AD0451700
Entities
People
- J. B. Burger
- W. J. Wilson
Organizations
- General Electric