Skip to main content

Computer-Aided Synthesis Planning

  • Chapter
Book cover Elements of Synthesis Planning

Abstract

Computational approaches exist to support synthesis planning. Knowledge-based programs utilize databases of known reactions, whereas logic-based programs analyze the topology of the target structure to suggest optimal—not necessarily precedented—synthesis routes.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 49.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 64.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. M. H. Todd, Chem. Soc. Rev. 2005, 34, 247–266.

    Article  CAS  Google Scholar 

  2. M. Sitzmann, M. Pförtner Computer-Assisted Synthesis Design in Chemoinformatics (Eds.: J. Gasteiger, T. Engel), Wiley-VCH, Weinheim, 2003.

    Google Scholar 

  3. E. J. Corey, Angew. Chem., Int. Ed. Engl. 1991, 30, 455–465. (Angew. Chem. 1991, 103, 469–479).

    Article  Google Scholar 

  4. E. J. Corey, X.-M. Cheng, The Logic of Chemical Synthesis, J. Wiley & Sons, New York, 1989.

    Google Scholar 

  5. S. Hanessian, Curr. Opin. Drug Disc. & Devel. 2005, 8, 798–819.

    CAS  Google Scholar 

  6. A. Dengler, E. Fontain, M. Knauer, N. Stein, I. Ugi, Rec. Trav. chim. Pays-Bas 1992, 111, 262–269.

    CAS  Google Scholar 

  7. J. Gasteiger, M. G. Hutchings, B. Christoph, L. Gann, C. Hiller, P. Löw, M. Marsili, H. Saller, K. Yuki, Top. Curr. Chem. 1987, 137, 19–73.

    CAS  Google Scholar 

  8. J. Gasteiger, W.-D. Ihlenfeldt, P. Röse, Rec. Trav. chim. Pays-Bas 1992, 111, 270–290.

    CAS  Google Scholar 

  9. W.-D. Ihlenfeldt, J. Gasteiger, Angew. Chem., Int. Ed. Engl. 1995, 34, 2613–2633. (Angew. Chem. 1995, 107, 2807–2829).

    Article  CAS  Google Scholar 

  10. J. B. Hendrickson, Rec. Trav. Chim. Pays-Bas 1992, 111, 323–334.

    Google Scholar 

  11. R. Barone, M. Chanon Computer-Assisted Synthesis Design in Handbook of Chemoinformatics (Ed.: J. Gasteiger), Wiley-VCH, Weinheim, 2003.

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to R.W. Hoffmann .

Rights and permissions

Reprints and permissions

Copyright information

© 2009 Springer-Verlag Berlin Heidelberg

About this chapter

Cite this chapter

Hoffmann, R. (2009). Computer-Aided Synthesis Planning. In: Elements of Synthesis Planning. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-79220-8_9

Download citation

Publish with us

Policies and ethics