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Angewandte Chemie International Edition
Communication

Chemical Network Algorithms for the Risk Assessment and Management of Chemical Threats*

Patrick E. Fuller

Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL 60208 (USA) http://dysa.northwestern.edu

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Dr. Chris M. Gothard

Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL 60208 (USA) http://dysa.northwestern.edu

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Nosheen A. Gothard

Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL 60208 (USA) http://dysa.northwestern.edu

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Alex Weckiewicz

Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL 60208 (USA) http://dysa.northwestern.edu

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Prof. Bartosz A. Grzybowski

Corresponding Author

E-mail address:grzybor@northwestern.edu

Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL 60208 (USA) http://dysa.northwestern.edu

Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL 60208 (USA) http://dysa.northwestern.edu
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First published: 13 July 2012
Cited by: 14
*

This work was supported by the Non‐equilibrium Energy Research Center (NERC) at Northwestern, which is an Energy Frontier Research Center funded by the U.S. Department of Energy under Award Number DE‐SC0000989.

Abstract

A network of chemical threats: Current regulatory protocols are insufficient to monitor and block many short‐route syntheses of chemical weapons, including those that start from household products. Network searches combined with game‐theory algorithms provide an effective means of identifying and eliminating chemical threats. (Picture: an algorithm‐detected pathway that yields sarin (bright red node) in three steps from unregulated substances.)

Number of times cited: 14

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