OEChemDB

OEChemDB is a chemical database developed by OpenEye Scientific Software. It is designed to store, manage, and retrieve chemical information, including molecular structures, properties, and associated metadata. The database is built upon OpenEye's cheminformatics toolkits, which provide robust capabilities for handling chemical data. OEChemDB can be used to create custom chemical repositories for various applications, such as drug discovery, materials science, and chemical research.

The primary function of OEChemDB is to serve as a centralized and searchable repository for chemical compounds. Users can store large collections of molecules and query them based on structural similarity, substructure, or specific chemical properties. This allows for efficient identification of relevant compounds for further analysis or experimentation. The database supports various data types, enabling the storage of not only molecular structures but also experimental results, biological activity data, and other relevant annotations.

OEChemDB integrates with other OpenEye tools, such as the Omega conformer generator and the EON program for shape-based searching. This integration allows for advanced analysis and screening of chemical libraries. The database can be deployed in various environments, from single-user desktops to large-scale enterprise systems, offering flexibility in data management. Its design emphasizes performance and scalability, making it suitable for handling extensive chemical datasets.