Article | REF: K40 V1

Chemistry databases

Author: Christian DUTHEUIL

Publication date: November 10, 2001

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7. Reaction data

Various collections of validated reaction data have been established for use as reference banks in expert, CAD and CAD/CAM systems. They are distributed (Metalysis; Fieser and Fieser, reagents for organic chemistry; Harrison and Harrison compendium of organic synthetic methods) in suitable computer formats by specialized software developers such as MDL Information System Inc, Accelrys (Synopsys Scientific Systems). There are also bibliographic sources (distributed in all printed forms, magnetic files, local databases (in server or Web-Intranet format) or online (servers and Internet) and CD Rom). Databases generally cover the whole field of organic chemistry. There are, however, a few specialized databases, such as Comprehensive Heterocyclic Chemistry.

In Chemical Abstracts, reactions are mainly analyzed in the following referenced sections:

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