Journal of Mathematical Chemistry

, Volume 3, Issue 1, pp 73–89 | Cite as

A mathematical model of realistic constitutional chemistry. A synthon approach. I: An algebraic model of a synthon

  • Jaroslav Koča
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Abstract

A mathematical model of a synthon is suggested. The synthon is modelled by a special so-calledS-matrix. The notion of isomeric synthons on the set of atoms A and that of a Family of Isomeric SynthonsFIS (A) is introduced. The chemical reaction is represented by a matrix equation and it is modelled by the so-calledSR-matrix. The notion of the reaction distance (RD) between two isomeric synthons is defined. A mathematical theory of the S andSR-matrices is developed.

Keywords

Physical Chemistry Mathematical Model Mathematical Theory Matrix Equation Algebraic Model 
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

© J.C. Baltzer AG, Scientific Publishing Company 1989

Authors and Affiliations

  • Jaroslav Koča
    • 1
  1. 1.Department of Organic Chemistry, Faculty of SciencePurkyně UniversityBrnoCzechoslovakia

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