Automatic Generation of Synthetic Routes from Carbohydrates

DOI Web Site Web Site 26 References

Bibliographic Information

Other Title
  • 単糖の変換経路の自動生成システム
  • タントウ ノ ヘンカン ケイロ ノ ジドウ セイセイ システム

Search this article

Abstract

Biomass is an important resource that has been focused on as one of the alternatives for petroleum. For the realization of the sustainable society, development of chemical processes using biomass resources as chemical materials is expected.<BR>The methodology of the automatic generation of synthetic routes to a given target compound from carbohydrates(monosaccharides) is described.<BR>Each monosaccaride or its hydrate is converted into various compounds by dehydration, dehydrogenation or hydrogenation. The compounds are converted into tautomers(same molecular formula) by steps of tautomerization. Each tautomer is converted into carbocycles with the same formula by cyclization.<BR>The above-mentioned operation is repeated until the molecular formula of compounds sets is in agreement with that of the target compound. The synthetic routes from monosaccarides to the target compound are detected by exploration and matching operation on a Linux computer using our Pascal program.

Journal

References(26)*help

See more

Keywords

Details 詳細情報について

Report a problem

Back to top