Enterprise chemical information system

This book demonstrates how the layered architecture can be used in an enterprise chemical information system. 

Developing Chemical Information Systems An Object-Oriented Approach Using Enterprise Java, by Fan Li Copyright 2007 John Wiley Sons, Inc. 

Technologies have evolved to a point where it is no longer necessary to rely on vendor proprietary technologies such as MDL ISIS to develop chemical information systems (Chapter 1). Enterprise Java and. NET, combined with some chemical information tool kits, are fully capable of developing these systems. The outcome is increased productivity and reduced costs and systems with enterprise strength. 

CASH/TRACK Livingston Enterprises 2855 Kifer Road Santa Oara, CA 95051 (408) 986-8866 Full inventory chemical tracking system designed to extract Her 1 and Tier 11 information for assistance in reporting. 

Molecular geometry is an easy accessible source of chemical information (The Cambridge Structure Database) and hence willingly applied for description and interpretation of chemical systems and processes [7]. According to R. Hoffmann There is no more basic enterprise in chemistry than the determination of the geometrical structure of a molecule. Such a determination, when it is well done ends all speculations as to the structure and provides us... 

If the company frequently exports many different products containing chemical substances subject to the export notification requirements, a manual check will likely not be the optimal way to ensure compliance. A preferable approach would be to insert flags in the company s enterprise resource planning system, its order processing system, or its export system that alert the export speciahst that a particular product being exported is subject to an export requirement. The export speciahst can be trained to pass this information on to the regulatory specialist, who wiU handle the notification process. Or, the... 

The amount of a class II designated chemical substance released and transferred needs not be reported to the government. When an enterprise tries to sell or provide a product containing such a substance to another enterprise, the seller must prepare an MSDS containing information on the name, content, properties and warnings in handling of the substance and provide it to the buyer before delivery of the product (the system was enforced in January 2001). 

The allocation of responsibilities for carrying out risk assessments of substances under the old system was also problematic, with the burden placed on public authorities rather than the enterprises that manufactured, imported or used the substances. Moreover, the risk assessments were required to be comprehensive rather than targeted and use-specific, resulting in a lengthy assessment process. By 2006, only 141 high-volume chemicals had been identified as priority substances for risk assessment. Information on uses of substances under the old system also tended to be incomplete, as only manufacturers and importers of chemicals were required to provide information, whereas downstream users (industrial users and formulators) were not, with only few exceptions. 

Many chemists, biochemists, and medicinal chemists devote much time in the laboratory gathering quantitative information about systems that are important and interesting to them. The central role of analytical chemistry in this enterprise and many others is illustrated in Figure 1-1. All branches of chemistry draw on the ideas and techniques of analytical chemistry. Analytical chemistry has a similar function with respect to the many other scientific fields listed in the diagram. Chemistry is often called the central science its top center position and the central position of analytical chemistry in the figure emphasize this importance. The interdisciplinary nature of chemical analysis makes it a vital tool in medical, industrial, government, and academic laboratories throughout the world. 

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