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The PSIDOM chemical structure drawing interface is being used in two other products which facilitate searching of online chemical information. Both of these products have been commissioned from HDS by Derwent Publications Ltd and are aimed at searching text-based files which contain chemical fragment codes used as... 

A number of methods have been developed to introduce context to on-line databases, enabling searches to be refined to minimized false retrieval. One of the earliest techniques is proximity searching, in which two words are required to be adjacent, or within a limited distance from each other in text. The assignment of roles to chemical substances is a method of precoordinating concepts. A substance can be identified as a reactant, as a product, and in some systems in a number of additional roles. For example, by searching for documents in which formaldehyde is a product, documents in which it is a reactant, or in which it undergoes no reaction, are thus eliminated. 

POLYMAT light POLYMAT light Materials Data for Plastics is a manufacturer independent, materials database for plastics and contains properties of thermoplastics, thermoplastic elastomers and blends. In total, data from approximately 13,000 commercial products of 170 manufacturers are available products and data can be retrieved via searching in 35 different numerical properties and 15 text fields. 

Search MSDS on CCINFOWeb. All databases on CCINFOWeb may be searched for free. The MSDSs are contributed by North American sources, many that are multi-national companies marketing chemical products worldwide. This database meets a growing international requirement for health and safety information on specific chemical products. It helps thousands of users worldwide manage their responsibilities under workplace, environmental and other right-to-know legislation. The MSDS database can be searched quickly and easily for product names and other product identifications, manufacturer or supplier names, dates of MSDSs, or any term used in the text of the MSDS itself. 

Web addresses of individual suppliers are given in the text, but a general search facility of over 1000 worldwide manufacturers is available at http //www.product-search.co.uk... 

Fig. 11. Search for superheavy nuclides in the reaction of 48Ca with 248Cm upper limits of production cross sections plotted versus half-life. The curves refer to different separation techniques (see text) recoil-fragment separators (curves 1, 2), fast on-line chemistry (3-5), and off-line chemistry with low-background counting (6-8). From P. Armbruster et al. [100].

Fig. 13. Search for superheavy nuclides in the 238U+238U reaction upper limits for the production cross section obtained with various techniques (see text), plotted versus half-life. Reproduced from N. Hildebrand et al. [108], Copyright (2002), with permission from Elsevier Science.

A number of NMR spectral databases exist to aid the natural product chemist in structure elucidation. Speclnfo currently contains 359000 13C NMR spectra and 130 000 3H NMR assigned spectra.106 CSearch is another repository with a number of data sets.107 Both Speclnfo and CSearch provide structure prediction based on the database content. NMRShiftDB is an open access, open submission NMR web database for structures and their NMR spectra. It allows users to predict spectra and search for spectra and structures.108,109 NMRPredict is offered with MestReNova and predicts ll and 13C spectra from a structure.110 The Madison Metabolomics Consortium Database (MMCD http //mmcd.nmrfam.wisc.edu/) is a web-based bioinformatics resource that contains experimental NMR data on 447 compounds.111 Additionally, the system contains information on more than 20 000 small molecules and can be queried using text, structure, NMR, mass and miscellanea.111,112 ChemGate allows users to search for NMR data by structures or substructures and also predicts NMR spectra.113... 

This information may be gleaned from specialized ADR resources, texts, and other tertiary sources, including the FDA-approved product label. However, this information must often be augmented using additional data from secondary sources. At minimum, this should include searches of the bibliographic databases from the National Library of Medicine (Medline and Toxnet) and Excerpta Medica (Embase). 

Sponsors should not provide the text of a meta-data descriptor that contains direct or implied product claims to a search engine. Keywords and other meta-data tags that refer to competitor products are prohibited. 

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