Multistep Reaction Schemes in the Reaction Access System (REACCS)

  • Brad Christie
  • Tom Moock
Conference paper

Abstract

Although in-house reaction database software packages with structural searching capabilities have been available for several years, they are primarily based on single-step reactions. Conventions have been adopted for many of these for the representation of multi-step reactions. However, at the time of this writing there exists no system which uses a general approach for searching multi-step reaction sequences, both within a single document, and for sequences which span multiple documents. A comparison of methods for how this can be achieved within the architecture of the Reaction Access System (REACCS) is described.

Keywords

Phenol Benzene Toluene Aldehyde Aniline 

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References

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Copyright information

© Springer-Verlag Berlin Heidelberg 1993

Authors and Affiliations

  • Brad Christie
    • 1
  • Tom Moock
    • 1
  1. 1.Molecular Design LimitedSan LeandroUSA

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