Some problems of chemical reactions retrieval systems

• Autorzy: Hippe Z. S.
• Konferencja: Databases for Science INFOBAZY 1997: 1st National Conference (23-25 June 1997, Gdańsk, Poland)
• Języki publikacji: EN

Abstrakty

EN

The paper briefly discusses some organisational questions of distribution of chemical information over the computer network, emphasizing various tools available for chemical sciences, mainly: chemical reaction retrieval systems, systems for computer-assisted molecular modelling, then for computational chemistry, biocomputing, and information about human genes. From the above mentioned problems, the chemical reaction retrieval systems, like ORAC, REACCS, and SYNLIB are covered in detail. Additionally, the latest philosophy of searching reaction databases, represented by a family of tools from InfoChem GmbH (ChemReact41, CD-ROM-with over 2.5 min of reactions-and STS), are critically reviewed.

Słowa kluczowe

EN

chemical reactions retrieval systems; computer network; computational chemistry; biocomputing; human genes

• Wydawca: Politechnika Gdańska
• Czasopismo: TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
• Rocznik: 1998
• Tom: Vol. 2, No 1
• Strony: 155--165
• Opis fizyczny: Bibliogr. 6 poz., rys., tab.

Twórcy

autor

Hippe Z. S.

• Department of Computer Chemistry, Rzeszów University of Technology, 6 Powstancow Warszawy Ave., 35-041 Rzeszów, Poland

Bibliografia

• [1] [Cignarclla, etall., 1980] Cignarella G., Grella G., and Curzu M. M.: Hydroxymethylierung von 3-Amyl propionsuren; Verbesserte Synthese von 4-Aroyl-2(3H)-dihydrofuranonen und ein leichter Zugang :u 3-Aroyl-hiil-3-ensuren. Synthesis 10(1980) 225-228
• [2] [Hippe, 1993] Hippe Z. S.: Perspectives and Applications of Computers in Chemistry as Affected by Growth of Information Technology'. Report 3510PL92240, Katholieke Universiteit, Nijmegen 1993
• [3] [Loew, etall., 1997] Loew R, Sailer H. .Hippe Z. S., and Nowak G.: InfoChem GmbH Program Environment in the Search for Knowledge on Chemical Reactions. in: Hippe Z. S., and Ugi I. K. (Eds.): MidtiComponent Reactions and Combinatorial Chemistiy, University of Technology Editorial Office, Rzeszow 1997, pp. 96-107
• [4] [Noordik, 1996] Noordik J. H.: Private information.
• [5] [Ott, 1996] Ott M. A.: Computer Methods in Synthesis Analysis. Application to Reaction etrieval and Syntheses Design. PhD-Thesis, Katholieke Universiteit, Nijmegen 1996.
• [6] [Shams, et all., 1986j Shams N.A., Hamed A.A., Donia S.G., Shaker S.A.: Synthesis of 4-aroyl-4,5-dihydro 2(3H)fitranones and their reactions with some nucleophiles. Polish J. Chem. 60 (19*6) 143-149 Shams N.A., I lamed A.A., Donia S.G., Shaker S.ASynthesis of 4-aroyl-4.5-dihydro 2(3H)f'uranones and their reactions with some nucleophiles. Egypt. J. Chem. 29 (1986) 165-172 Shams N.A., Hamed A. A., Donia S.G., Shaker S.A /.Synthesis of'4-aroyI-4,5- dihydro- 2(3,H)-furanones and their reactions with some nucleophiles, Rev. Roum. Chim. 31(1986) 541 -546.