Applications of Artificial Intelligence for Chemical Inference. 12. Exhaustive Generation of Cyclic and Acyclic Isomers

Abstract

A systematic method of identification of all possible graph isomers consistent with a given empirical formula is described. The method, embodied in a computer program, generates a complete list of isomers. Duplicate structures are avoided prospectively.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 1973
Accession Number
AD0771299

Entities

People

  • D. H. Smith
  • J. Lederberg
  • L. Masinter
  • N. S. Sridharan

Organizations

  • Stanford University

Tags

Communities of Interest

  • Autonomy
  • Biomedical
  • C4I

DTIC Thesaurus Topics

  • Artificial Intelligence
  • Chemical Synthesis
  • Chemistry
  • Computer Programs
  • Computer Science
  • Elements
  • Equations
  • Geometry
  • Identification
  • Isomers
  • Mathematics
  • Molecular Structure
  • Molecules
  • Nitrogen
  • Organic Chemistry
  • Rings
  • Universities

Readers

  • Applied Combinatorial Optimization and Logic Circuit Design.
  • Artificial Intelligence
  • Organic Chemistry

Technology Areas

  • AI & ML
  • AI & ML - Bayesian Inference