CAS Common Chemistry

CAS Common Chemistry provides open-access chemical substance information, including identifiers and computer-readable chemical structures for 500,000 substances, to support chemical informatics and related research.

Key Features:

• Extensive Dataset: Contains records for 500,000 chemical substances with basic properties and computer-readable chemical structure information.
• Enhanced Search Capabilities: Improved search functionalities support locating specific chemical substances and associated data.
• Integrated API: Provides an API for programmatic access and integration of CAS Common Chemistry data into external systems.
• Reusable Licensing: Content is available under the Creative Commons Attribution-Non-Commercial (CC-BY-NC 4.0) license.

Scientific Applications:

• Medicinal chemistry: Supports drug discovery research by providing substance identifiers and structures for compound characterization.
• Environmental science: Facilitates toxicological assessments and environmental chemistry analyses using standardized substance information.
• Materials science: Enables material development workflows that require validated chemical substance data and structures.
• Chemical informatics: Supports computational modeling, cheminformatics analyses, and integration with other chemical data resources.

Methodology:

Curating and maintaining an extensive database of chemical substances and integrating computer-readable chemical structure information to enable computational analyses and simulations.