DENDRAL - A COMPUTER PROGRAM FOR GENERATING AND FILTERING CHEMICAL STRUCTURES,

Abstract

A computer program was written which can generate all the structural isomers of a chemical composition. The generated structures are inspected for forbidden substructures in order to eliminate structures which are chemically impossible from the output. In addition, the program contains heuristics for determining the most plausible structures, for utilizing supplementary data, and for interrogating the on-line user as to desired options and procedures. The program incorporates a memory so that past experiences are utilized in later work. (Author)

Document Details

Document Type
Technical Report
Publication Date
Feb 15, 1967
Accession Number
AD0676126

Entities

People

  • Georgia Sutherland

Organizations

  • Stanford University

Tags

DTIC Thesaurus Topics

  • Chemical Composition
  • Computer Programs
  • Computers
  • Filtration
  • Isomers
  • Structural Isomers

Readers

  • Artificial Intelligence
  • Computer Science.
  • Polymer Science and Technology