As a specialist in scientific information solutions, CAS is partnering with research organizations around the globe to tackle the complex and rapidly evolving challenge of COVID-19. Aligned with our mission as a division of the American Chemical Society, CAS is making a wide range of assets, expertise, and resources available to support this fight.
As part of this effort, CAS has built an open source dataset assembled from CAS REGISTRY® including known anti-viral drugs and related chemical compounds that are structurally similar to known antivirals. The dataset license terms support use for applications including research, data mining, machine learning, and analytics at no charge.
About the Dataset
The dataset is in SD file format (.sdf) and contains connection tables for nearly 50,000 chemical substances, along with related metadata such as CAS Registry Number® and physical properties for each substance (details).
To open and use the dataset, we recommend applications designed primarily for working with the .sdf format. If you use software designed primarily for structure drawing, you may experience issues.
Contact the CAS Customer Center with any questions or if you would like to request additional data or services to support research or analysis related to COVID-19.
Additional CAS COVID-19 Resources
- Research and Development on Therapeutic Agents and Vaccines for COVID-19 and Related Human Coronavirus Diseases (review article in ACS Central Science)
- Beating COVID-19: Insights and strategies for new vaccines and therapies (blog)