Skip to main content
Fig. 3 | Journal of Cheminformatics

Fig. 3

From: Surge: a fast open-source chemical graph generator

Fig. 3

The simple graph on the left has an automorphism which is a reflection about the dashed line. This shows that the second and third images are equivalent and so will lead to the same molecular structures when bond multiplicities are assigned. So we only want to keep one of them

Back to article page