CheD: chemical database compilation tool, Internet server, and client for SQL servers

Area of Science:

• Computational Chemistry
• Cheminformatics

Background:

• Managing and processing chemical information efficiently is crucial for research.
• Existing software may lack flexibility or integration capabilities.

Purpose of the Study:

• To present an efficient personal computer program for chemical information management.
• To introduce a flexible system supporting diverse data types and integrations.

Main Methods:

• Development of a stand-alone application with optional Web server integration.
• Introduction of new data fields: spectral arrays, HTML/database links, user-defined functions.
• Implementation of an open architecture for extensibility.

Main Results:

• The program, CheD, enables efficient storage, retrieval, and processing of chemical data.
• It integrates with standard SQL servers (Oracle, Interbase, MS SQL) and custom Web servers.
• New data field types enhance spectral information storage and data linking.

Conclusions:

• CheD provides a versatile and extensible platform for chemical information management.
• Its open architecture facilitates customization and integration into existing workflows.
• The accompanying WWW server ensures user-friendly chemical data retrieval on Windows platforms.