Advertisement

Computer Assisted Chemical Reasoning

  • Bruce G. Buchanan
  • Dennis H. Smith

Abstract

Reliable, high performance computer programs are now influencing the ways younger chemists think about and solve their problems. Smart programs are serving as problem solving assistants for more and more complex tasks. However, using computer programs intelligently is as important as building intelligence into them in the first place. Good design must be coupled with intelligent use.

Keywords

American Chemical Society Complex Program Chemical Inference Marine Natural Product Double Bond Equivalent 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. [1]
    D.H. Smith, B.G. Buchanan, R.S. Engelmore, A.M. Duffield, A. Yeo, E.A. Feigenbaum, J. Lederberg, and C. Djerassi, “Applications of Artificial Intelligence for Chemical Inference VIII. An Approach to the Computer Interpretation of the High Resolution Mass Spectra of Complex Molecules. Structure Elucidation of Estrogenic Steroids”, Journal of the American Chemical Society, 94, 5962 (1972).CrossRefGoogle Scholar
  2. [2]
    R.G. Dromey, B.G. Buchanan, J. Lederberg and C. Djerassi, “Applications of Artificial Intelligence for Chemical Inference. XIV. A General Method for Predicting Molecular Ions in Mass Spectra”. Journal of Organic Chemistry, 40, 770 (1975).CrossRefGoogle Scholar
  3. [3]
    R.E. Carhart, S.M. Johnson, D.H. Smith, B.G. Buchanan, R.G. Dromey, J. Lederberg, “Networking and a Collaborative Research Community: A Case Study Using the DENDRAL Program,” in Computer Networking and Chemistry, P. Lykos, Ed., American Chemical Society, Washington, D.C., 1975, p. 192.CrossRefGoogle Scholar
  4. [4]
    R.E. Carhart, D.H. Smith, H. Brown and C. Djerassi, “Applications of Artificial Intelligence for Chemical Inference. XVII. An Approach to Computer-Assisted Elucidation of Molecular Structure”. Journal of the American Chemical Society, 97, 5755 (1975).CrossRefGoogle Scholar
  5. [5]
    B. G. Buchanan, D. H. Smith, W. C. White, R. Gritter, E. A. Feigenbaum, J. Lederberg and C. Djerassi, “Applications of Artificial Intelligence for Chemical Inference. XXII. Automatic Rule Formation in Mass Spectrometry by Means of the Meta-DENDRAL Program.” To appear in Journal of the American Chemical Society, Sept., 1976.Google Scholar

Copyright information

© Springer Science+Business Media New York 1977

Authors and Affiliations

  • Bruce G. Buchanan
    • 1
  • Dennis H. Smith
    • 1
  1. 1.Stanford UniversityStanfordUSA

Personalised recommendations