Mathematica
MATHEMATICA FEATURED EXAMPLE

Create Molecular Graphs

ChemicalData can be used to build molecular graphs: in this case, of the caffeine molecule.

    
In[30]:=
Click for copyable input
Out[30]=
Send Feedback
Mathematica 9 is now available!

400+ new features, including the new Wolfram Predictive Interface, social network analysis, enterprise CDF deployment, and more »

Try Now
Buy/Upgrade
New to Mathematica? Find your learning path »
Have a question? Ask support »