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Developing Chemical Information Systems: An Object-Oriented Approach Using Enterprise Java

Developing Chemical Information Systems: An Object-Oriented Approach Using Enterprise Java

Fan Li

ISBN: 978-0-470-06878-6

Dec 2006

536 pages



Develop and manage chemical information systems

This text provides a comprehensive overview of analyzing chemical problems using computer-aided methods for both newcomers and advanced computer scientists and chemists. In addition to practical how-to information and step-by-step descriptions, this resource includes case studies from Merck & Co., Inc., to further aid your understanding.

This guide covers a wide range of cheminformatics topics, including:
* Software development principles
* Object-oriented approach
* Building and buying
* Agile and Iterative Development Process
* UML Modeling
* Deployment and Software Architecture
* Presentation, Business, and Data Persistence Layer
* Producing an entity dictionary
* Chemistry Intelligence API
* Plug and play--integrating with third-party tools

Written by a former lead architect on the design of said systems at Merck & Co., Inc., this text not only lays out information, but also shares the author's experiences and advice on cheminformatics.
1. Introduction.

2. Software Development Principles: High-Low Open-Closed Principles.

3. Introduction to the Object-Oriented Approach and Its Benefits.

4. Build Versus Buy.

5. The Agile and Iterative Development Process.

6. UML Modeling.

7. Deployment Architecture.

8. Software Architecture.

9. A Case Study: Develop a Chemical Registration System (CRS).

10. A Chemical Informatics Domain Analysis Object Model.

11. Presentation Layer.

12. Business Layer.

13. Entity Dictionary.

14. Chemistry Intelligence API.

15. Data Persistence Layer.

16. Put Everything Together.



"…a practical how-to guide for applying the Java technology with an object-oriented approach to developing chemical information systems." (E-STREAMS, September 2007)