Literature DB >> 15032515

Organic synthesis--art or science?

Christoph Rücker1, Gerta Rücker, Steven H Bertz.   

Abstract

The LHASA rules for finding strategic bonds in polycyclic target structures are analyzed with respect to the following question: Do the strategic bonds tend to give the greatest simplification upon disconnection, as measured by recently introduced indices of molecular complexity? The answer is yes, at least for the more general rules. This result implies that the bonds most useful for retrosynthetic disconnection can now be identified by a simple calculation rather than by application of a body of rules. It is concluded that organic synthesis, as far as described by these rules, has a mathematical basis and consequently can be considered a science as well as an art.

Year:  2004        PMID: 15032515     DOI: 10.1021/ci030415e

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN: 0095-2338


  2 in total

1.  Finding the K best synthesis plans.

Authors:  Rolf Fagerberg; Christoph Flamm; Rojin Kianian; Daniel Merkle; Peter F Stadler
Journal:  J Cheminform       Date:  2018-04-05       Impact factor: 5.514

2.  Efficient prediction of reaction paths through molecular graph and reaction network analysis.

Authors:  Yeonjoon Kim; Jin Woo Kim; Zeehyo Kim; Woo Youn Kim
Journal:  Chem Sci       Date:  2017-12-12       Impact factor: 9.825

  2 in total

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