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Integrals data structures

The independence approach allows for a good encapsulation of the APS issue but requires major changes in business processes. It requires the creation and maintenance of an independent data model with its own data structure and the definition of new business processes. Introduction of the APS system must be done in a big bang. Integration is not fully guaranteed, its quality depends on the throughput and the error tolerance of the integration interface. [Pg.265]

As more and more data bases are collected and merged into the SSS, it indirectly becomes a catalog of files/lists/collections containing certain chemicals (15). Recently the structure of the SSS files were reorganized so that this referral capability became much more efficient, using an integrated data base of 25 files as shown in Figure 2. [Pg.258]

At its inception, Emeleus and Sharpe adopted what they described as a broad definition of inorganic chemistry. As they indicated, the subject depends very much for its existence on the application of physical and physicochemical principles to chemical phenomena. One of their aims was the integration of structural, kinetic, and thermodynamic data with descriptive chemistry. All this and more has, I am quite sure, been achieved. Inorganic chemistry has certainly not become any less broad over the intervening years. [Pg.420]

Introduction to 2-D NMR experiments The purpose of the standard 1-D H NMR experiment is to achieve structure-related information about sample protons (i.e., chemical shifts, spin-spin couplings, and integration data) describing the relative number of protons. Applied to anthocyanins, this information may help to identify the aglycone (anthocyanidin), number of monosaccharides present, and anomeric configuration of the monosaccharides. However, for most anthocyanins, the information gained by a standard 1 -D H NMR experiment is insufficient for complete structure elucidation. In recent years, various 2-D NMR experiments have evolved as the most powerful tools for complete structure elucidation of anthocyanins. [Pg.827]

The terms bioinformatics and cheminformatics refer to the use of computational methods in the study of biology and chemistry. Information from DNA or protein sequences, protein structure, and chemical structure is used to build models of biochemical systems or models of the interaction of a biochemical system with a small molecule (e.g., a drug). There are mathematical and statistical methods for analysis, public databases, and literature associated with each of these disciplines. However, there is substantial value in considering the interaction between these areas and in building computational models that integrate data from both sources. In the most... [Pg.282]

Inventories are basically structured knowledge repositories. They can be independent systems or alternatively can integrate data from other information systems. Information Technology (IT) tools are software applications that assist the user in specific operations. Some inventories and IT tools that can be considered as essential components of the DSS are described in generic terms below, with emphasis on their scientific features rather than to specific software applications (e.g., commercially available software). [Pg.760]


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Data integration

Data structure

Molecular structure biological data integration

Structural data

Structural integration

Structural integrity

Structure integrals

Structured data

Structures Integration

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