Graph theory of synthons |
| |
| Authors: | V Kvasni
ka J Pospíchal |
| |
| Institution: | V. Kvasni?ka,J. Pospíchal |
| |
| Abstract: | A graph-theory model of synthons is suggested. A synthon is a special kind of the molecular graph in which some vertices are distinguished from other ones, and they are called the virtual vertices. The most important property of the synthons is that the constraint of strict stoichiometry is removed and the virtual vertices formally correspond to functional groups that are not closely specified. |
| |
| Keywords: | |
|
|
