THE DETECTION AND ORIENTATION OF SUBSTRUCTURES IN ORGANIC COMPOUNDS
Abstract
IN DEVELOPING A GENERAL SYSTEM FOR THE ORIENTATION OF CHEMICAL KNOWLEDGE, IT WAS CONSIDERED AXIOMATIC THAT ALL AVAILABLE DATA SHOULD BE RELATED TO A SYSTEM AND THAT THE PERMUTATIVE AND COMBINATIVE SELECTION OFFERED IN RETRIEVAL SHOULD BE OF INFINITE DEPTH. One problem was the identification of sub-structures in organic compounds. In practical terms this may amount to answering one or more of the following questions: (1) What compounds contain a specific element, (2) What compounds contain a specific group, and (3) Are a given number of such atoms or groups or combinations of atoms or groups present. Still higher degrees of data sophistication are possible with ring compounds. Algorithms based on the use of the official IUPAC notation were devised. By combining certain algorithms and moving from one to another as searching landmarks determine, it is possible to answer any question - no matter how sophisticated - on the structures of compounds, both cyclic and acyclic, either individually or generically. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Feb 01, 1962
- Accession Number
- AD0274358
Entities
People
- G. Malcolm Dyson
Organizations
- American Chemical Society