The Applied Synthon Model

  • J. Koča
  • M. Kratochvíl
  • L. Matyska
  • V. Kvasnička
  • J. Pospíchal
Part of the Lecture Notes in Chemistry book series (LNC, volume 51)

Abstract

In the preceding chapter we have defined the notion of a synthon. Its main difference from the molecular graph (Chap. 2) is that some of its vertices are distinguished from others by virtue of being so-called virtual vertices. In our forthcoming considerations we shall often use the term atom instead of the mathematical term vertex. The virtual vertex, or atom, represents a “virtual” functional group or a molecular fragment irrelevant for the chemical transformations of interest. Let us consider a synthon constructed over an atomic set A, this synthon is chemically described by a structural formula in which some bonds are not terminated by atoms. Loosely speaking, they are sticking out of the structural formula and formally terminate in virtual atoms. A synthon constructed over the atomic set A will be denoted by the symbol S (A).

Keywords

Vinyl 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1989

Authors and Affiliations

  • J. Koča
    • 1
  • M. Kratochvíl
    • 2
  • L. Matyska
    • 2
  • V. Kvasnička
    • 3
  • J. Pospíchal
    • 3
  1. 1.Department of Organic ChemistryJ.E. Purkyně UniversityBrnoCzechoslovakia
  2. 2.Research Institute of Pure Chemicals, LachemaBrnoCzechoslovakia
  3. 3.Department of MathematicsSlovak Technical UniversityBratislavaCzechoslovakia

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