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.
Tabella dei contenuti
1. Introduction 1
2. Software Development Principles: High-Low Open-Closed Principles 6
3. Introduction to the Object-Oriented Approach and Its Benefits 12
4. Build Versus Buy 23
5. The Agile and Iterative Development Process 26
6. UML Modeling 34
7. Deployment Architecture 38
8. Software Architecture 43
9. A Case Study: Develop a Chemical Registration System (CRS) 49
10. A Chemical Informatics Domain Analysis Object Model 61
11. Presentation Layer 65
12. Business Layer 69
13. Entity Dictionary 147
14. Chemistry Intelligence API 168
15. Data Persistence Layer 186
16. Put Everything Together 204
Bibliography 207
Index 209
Circa l’autore
FAN LI, PHD, is the team leader and chief architect of the Merck Basic Research Chemical Information Systems development team. Some of his past jobs include programming analyst for MCI Communications and software engineer for Conduit Software. At Merck, he has received many awards for excellence.
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