ISIS databases substructure searching

Unclear Magnetic Kesonance Spectroscopy. Bruker s database, designed for use with its spectrophotometers, contains 20,000 13C-nmr and Tl-nmr, as well as a combined nmr-ms database (66). Sadder Laboratories markets a PC-based system that can search its collection of 30,000 13C-nmr spectra by substructure as well as by peak assignments and by full spectrum (64). Other databases include one by Varian and a CD-ROM system containing polymer spectra produced by Tsukuba University, Japan. CSEARCH, a system developed at the University of Vienna by Robien, searches a database of almost 16,000 13C-nmr. Molecular Design Limited (MDL) has adapted the Robien database to be searched in the MACCS and ISIS graphical display and search environment (63). Projects are under way to link the MDL system with the Sadder library and its unique search capabilities. 

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