Description
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. 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. 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. Bibliography. Index.
