Fig. 5From: A molecule perturbation software library and its application to study the effects of molecular design constraintsExample molecular keys. The color highlighted atoms are characterized with atom keys, and the color highlighted bond between them characterized with a bond key. The nitrogen’s circular atomic environment of radius 1 is shown as a dotted outline and characterized with the hash of its bonds’ keys, resulting in seemingly random numbers. For the meaning of each integer see Table 1Back to article page