The Applied Synthon Model
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).
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References (Chapter 4)
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