The network of chemistry and the rise of an "Automatic Chemist"

Bartosz A. Grzybowski
K. Burgess Professor of Physical Chemistry and Chemical Systems Engineering Director of the DoE Non-Equilibrium Research Center Northwestern University Department of Chemistry and Department of Chemical and Biological Engineering Evanston, IL 60208, USA.
www: dysa.northwestern.edu or www.nerc.northwestern.edu email:grzybor@northwestern.edu

The millions of reactions performed and compounds synthesized by organic chemists over the past two centuries connect to form a network larger than the metabolic networks of higher organisms and rivaling the complexity of the World Wide Web. Despite its apparent randomness, the network of chemistry has a well-defined, modular architecture. It evolves in time according to trends that have not changed since the inception of our discipline and thus projects into chemistry's future. Analysis of organic chemistry using the tools of network theory enables the identification of most 'central' organic molecules, and for the prediction of which and how many molecules will be made in the future.

Algorithms akin to those used in telecom industry allow for finding optimal synthetic pathways, for estimating chemical reactivity, and most importantly, for the algorithmic discovery of tandem/sequential reactions that reduce the overall costs of organic synthesis by more than 50%. My talk will also illustrate the application of the Network of Chemistry to the issues of national security and industrial optimization.