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Symbolic computation and chemistry

  • Alexandru T. Balaban
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 203)

Abstract

A survey of symbolic computation in chemistry is presented, emphasizing the impact on chemical information systems (storage and retrieval of chemical constitutional graphs), the enumeration and structural representation of chemical isomers.

Keywords

Symbolic Computation Topological Index Dualist Graph Chemical Abstract Nonhydrogen Atom 
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.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1985

Authors and Affiliations

  • Alexandru T. Balaban
    • 1
  1. 1.Organic Chemistry DepartmentThe PolytechnicBucharestRoumania

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