Graphs can be used to build molecular graphs in Mathematica through the use of the function ChemicalData. This Demonstration shows a small selection of the thousands of molecules available as part of a large collection of curated chemical compounds accessible and ready for use in Mathematica 8. Molecular graphs have the useful feature that they show pure connectivity, irrespective of double or triple bonds between atoms.
Contributed by: Jaime Rangel-Mondragon (August 2011)
Based on work by: Roger Germundsson, Charles Pooh, Jae Bum Jung, Yan Zhuang, Henrik Tidefelt, and Tim Shedelbower
Open content licensed under CC BY-NC-SA
Wolfram Demonstrations Project
Published: August 22 2011