Chemie-Information-Computer

Hinze, J. and Welz, U. (1996). Broad Smiles. In Software Development in Chemistry - Vol. 10 (Gasteiger, J., ed.), Fachgruppe Chemie-Information-Computer (CIC), Frankfurt am Main (Germany), pp. 59-65. 

J. T. Bohlen, Chemlnform Electronic Journal and Chemln-formRX Reaction database - New Developments , ed. J. Gasteiger, Software-Entwicklung in der Chemie 10, GDCh-Fachgruppe Chemie-Information-Computer, Gesellschaft Deutscher Chemiker, Frankfurt, 1996, pp. 27-32. 

Dieser Band enthalt die Beitrage des 2. Workshops Computer in der Chemie" (18.-20. November 1987). Das Meeting wurde von der Fachgruppe Chemie-Information der GDCH veran-staltet und enth t Beitr e fur folgende Gebiete ... 

Noth, H., Striedl, E. B-Base a Boron-11 NMR Factual Database for Personal Computers . Mitteilungsblatt Ges. Dtsch. Chem. Fachgruppe Chemie Information 1989,15, 3-10. 

In fact, Chemoinformatics is a generic term that encompasses the design, creation, organization, management, retrieval, analysis, dissemination, visualization and use of chemical information. Related terms of chemoinformatics are cheminformatics, chemi-informatics, chemometrics, computational chemistry, chemical informatics, and chemical information management/science. 

FIZ Chemie = Fachinformation.szentrum Cheniie ISl = institute for Scientific Information IRDAS = ISIS reaction database access system ISIS = integrated scientific information system JSM = Journal of Synthetic Methods MACCS = molecule access system MOS = Metlwd.s in Organic Synthesis, ORAC = Organic Reaction Acce.ss by Computer REACCS = Reaction Access System SMD = standard molecular data SPORE = Solid Phase Organic Reactions, STN = Scientific and Technical Information Network SYNLIB = Synthesis Library. 

Recently some other research institutions in the field of computer chemistry exhibited distinct interest in the SMD format (e.g., Fraser Williams, ORAC Ltd, FIZ Chemie Berlin, Sadtler and others) and compatible formats have been designed for special purposes. For example there is the format by the Joint Committee on Atomic and Molecular Physics, JCAMP, for spectroscopic data storage which on one hand has a more limited scope, but on the other hand puts much emphasis on spectroscopically relevant features like stereochemistry. (Gasteiger, J. Hendriks, B.M.P. Hoever, P. Jochum, J. Somberg, H. JCAMP-CS. A Standard Exchange Format for Chemical Structure Information in Computer Readable Form , to be published). 

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