Bond Connectivity Graph of a Molecule
Ready-made graphs and networks from curated collections, including ChemicalData.
The basic structure for caffeine.
In[1]:=
![Click for copyable input](assets.en/bond-connectivity-graph-of-a-molecule/In_27.png)
ChemicalData["Caffeine", "StructureGraph"]
Out[1]=
![](assets.en/bond-connectivity-graph-of-a-molecule/O_22.png)
Show two structures of acid molecules.
In[2]:=
![Click for copyable input](assets.en/bond-connectivity-graph-of-a-molecule/In_28.png)
ChemicalData[#, "StructureGraph"] & /@ {"NEthylmethylamine",
"Propylamine"}
Out[2]=
![](assets.en/bond-connectivity-graph-of-a-molecule/O_23.png)
Test whether two graphs are isomorphic.
In[3]:=
![Click for copyable input](assets.en/bond-connectivity-graph-of-a-molecule/In_29.png)
ChemicalData[#, "StructureGraph"] & /@ {"NEthylmethylamine",
"Propylamine"};
IsomorphicGraphQ @@ %
Out[3]=
![](assets.en/bond-connectivity-graph-of-a-molecule/O_24.png)