Communication

Parallel Optimization of Synthetic Pathways within the Network of Organic Chemistry

  1. Dr. Mikołaj Kowalik1,
  2. Dr. Chris M. Gothard2,
  3. Aaron M. Drews1,
  4. Nosheen A. Gothard2,
  5. Alex Weckiewicz2,
  6. Patrick E. Fuller2,
  7. Prof. Bartosz A. Grzybowski2,*,
  8. Prof. Kyle J. M. Bishop1,*

Article first published online: 13 JUL 2012

DOI: 10.1002/anie.201202209

Issue

Angewandte Chemie International Edition

Angewandte Chemie International Edition

Volume 51, Issue 32, pages 7928–7932, August 6, 2012

Additional Information

How to Cite

Kowalik, M., Gothard, C. M., Drews, A. M., Gothard, N. A., Weckiewicz, A., Fuller, P. E., Grzybowski, B. A. and Bishop, K. J. M. (2012), Parallel Optimization of Synthetic Pathways within the Network of Organic Chemistry. Angew. Chem. Int. Ed., 51: 7928–7932. doi: 10.1002/anie.201202209

Author Information

  1. 1

    Department of Chemical Engineering, The Pennsylvania State University, Fenske Laboratory, University Park, PA 16802 (USA) https://sites.google.com/site/kjmbishop/

  2. 2

    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

Publication History

  1. Issue published online: 1 AUG 2012
  2. Article first published online: 13 JUL 2012
  3. Manuscript Revised: 18 MAY 2012
  4. Manuscript Received: 20 MAR 2012

SEARCH

SEARCH BY CITATION

ARTICLE TOOLS

View Full Article with Supporting Information (HTML) Get PDF (1586K)

Keywords:

  • algorithms;
  • chemical networks;
  • optimization;
  • synthetic methods
Thumbnail image of graphical abstract

Finding a needle in a haystack: The number of possible synthetic pathways leading to the desired target of a synthesis can be astronomical (1019 within five synthetic steps). Algorithms are described that navigate through the entire known chemical-synthetic knowledge to identify optimal synthetic pathways. Examples are provided to illustrate single-target optimization and parallel optimization of syntheses leading to multiple targets.

View Full Article with Supporting Information (HTML) Get PDF (1586K)